 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer01_STD_M11_augccpVDZ.in
 Output=31_naproxen_conformer01_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-16747.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     16753.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer01_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:15:41 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer01_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.701650000000      0.861049000000     -0.150441000000
  C                                                -1.142583000000     -0.492061000000     -0.146036000000
  C                                                 0.680291000000      1.135563000000     -0.261208000000
  C                                                 1.611358000000      0.129451000000     -0.370251000000
  C                                                 1.162418000000     -1.214398000000     -0.360965000000
  C                                                -0.168407000000     -1.514023000000     -0.252411000000
  C                                                -1.673067000000      1.886980000000     -0.044418000000
  H                                                 1.002631000000      2.171223000000     -0.269064000000
  H                                                 1.887775000000     -2.015222000000     -0.432725000000
  H                                                -0.492297000000     -2.547618000000     -0.243597000000
  C                                                 3.089483000000      0.433563000000     -0.483088000000
  C                                                 3.712284000000     -0.066300000000     -1.786151000000
  C                                                 3.873459000000     -0.077627000000      0.733351000000
  H                                                 3.203190000000      1.522932000000     -0.441764000000
  H                                                 4.768168000000      0.193895000000     -1.827559000000
  H                                                 3.198059000000      0.378934000000     -2.637902000000
  H                                                 3.635566000000     -1.150409000000     -1.866576000000
  O                                                 4.972607000000     -0.550358000000      0.679433000000
  O                                                 3.255984000000      0.083411000000      1.926913000000
  H                                                 2.348270000000      0.392671000000      1.784838000000
  C                                                -3.000863000000      1.591354000000      0.061295000000
  C                                                -3.436799000000      0.243260000000      0.067154000000
  C                                                -2.523995000000     -0.780170000000     -0.034789000000
  O                                                -4.779617000000      0.081304000000      0.178247000000
  C                                                -5.294817000000     -1.239834000000      0.194020000000
  H                                                -1.347302000000      2.919928000000     -0.048267000000
  H                                                -3.748933000000      2.368268000000      0.142782000000
  H                                                -2.835427000000     -1.814402000000     -0.032567000000
  H                                                -5.057543000000     -1.768200000000     -0.733736000000
  H                                                -6.373003000000     -1.140865000000      0.289516000000
  H                                                -4.903616000000     -1.806841000000      1.043513000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:15:42 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.423147   0.000000
     3  C    1.413290   2.446486   0.000000
     4  C    2.435890   2.832091   1.375150   0.000000
     5  C    2.797597   2.425076   2.400982   1.416885   0.000000
     6  C    2.436332   1.415889   2.782206   2.425378   1.368450
     7  C    1.416837   2.439585   2.479903   3.739321   4.214110
     8  H    2.152952   3.422011   1.084692   2.132984   3.390635
     9  H    3.880431   3.403716   3.378592   2.163315   1.082872
    10  H    3.416360   2.158172   3.865371   3.407067   2.128223
    11  C    3.829633   4.345200   2.519175   1.513298   2.538556
    12  C    4.797743   5.142080   3.600404   2.541059   3.138646
    13  C    4.753296   5.109379   3.557710   2.525454   3.136801
    14  H    3.971238   4.799312   2.558842   2.116798   3.415297
    15  H    5.759924   6.183448   4.477827   3.477549   4.139519
    16  H    4.650551   5.080276   3.544054   2.778867   3.444849
    17  H    5.079619   5.120975   4.066513   2.823907   2.896104
    18  O    5.905756   6.170928   4.706497   3.586359   4.005111
    19  O    4.536848   4.896496   3.539646   2.825575   3.361802
    20  H    3.642347   4.086206   2.742325   2.292757   2.931448
    21  C    2.421685   2.799430   3.723258   4.857569   5.038200
    22  C    2.812481   2.418589   4.225453   5.068349   4.843640
    23  C    2.455182   1.415515   3.740153   4.247480   3.726203
    24  O    4.164835   3.696204   5.578098   6.414650   6.105520
    25  C    5.062563   4.232712   6.446058   7.063186   6.481091
    26  H    2.160159   3.419523   2.709324   4.079719   4.846558
    27  H    3.412275   3.880458   4.615278   5.831657   6.100051
    28  H    3.424169   2.151089   4.595089   4.864822   4.055936
    29  H    5.121229   4.159427   6.448090   6.943158   6.255683
    30  H    6.030379   5.288473   7.431983   8.111659   7.563802
    31  H    5.118562   4.158009   6.445158   6.942106   6.254624
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724793   0.000000
     8  H    3.866865   2.700115   0.000000
     9  H    2.124052   5.296939   4.282124   0.000000
    10  H    1.083190   4.593425   4.950042   2.446213   0.000000
    11  C    3.802650   4.998673   2.724008   2.728220   4.666256
    12  C    4.416789   5.987566   3.827569   2.993141   5.120050
    13  C    4.401323   5.935365   3.782039   3.009476   5.110294
    14  H    4.541654   4.905945   2.300558   3.774776   5.501388
    15  H    5.455992   6.894609   4.529680   3.888756   6.139814
    16  H    4.539488   5.720859   3.693724   3.508794   5.283572
    17  H    4.148247   6.381816   4.529639   2.420455   4.650323
    18  O    5.312910   7.115445   4.905849   3.591505   5.891197
    19  O    4.362075   5.606652   3.776092   3.441533   5.067843
    20  H    3.757596   4.663720   3.031914   3.305691   4.563844
    21  C    4.214805   1.364409   4.058737   6.095099   4.849428
    22  C    3.724587   2.413507   4.851662   5.805317   4.068864
    23  C    2.476832   2.799618   4.604639   4.598633   2.700976
    24  O    4.898346   3.600097   6.164596   7.015898   5.046810
    25  C    5.153112   4.790709   7.176880   7.251459   4.996599
    26  H    4.592536   1.083106   2.476186   5.913479   5.537440
    27  H    5.296086   2.139136   4.773448   7.163705   5.909391
    28  H    2.692871   3.879620   5.538215   4.744375   2.464224
    29  H    4.919342   5.028934   7.242975   6.956225   4.657166
    30  H    6.239386   5.600782   8.104438   8.338260   6.070080
    31  H    4.918065   5.026366   7.240967   6.953107   4.654582
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.528305   0.000000
    13  C    1.534815   2.524677   0.000000
    14  H    1.096067   2.142945   2.095697   0.000000
    15  H    2.164030   1.088259   2.726259   2.477080   0.000000
    16  H    2.158239   1.090019   3.468423   2.476243   1.776552
    17  H    2.172835   1.089792   2.822601   3.060031   1.758256
    18  O    2.421923   2.811020   1.197710   2.947279   2.623112
    19  O    2.440990   3.743991   1.353440   2.772298   4.049070
    20  H    2.386327   3.850085   1.911284   2.639344   4.352566
    21  C    6.223275   7.157319   7.105875   6.224791   8.116557
    22  C    6.552201   7.391884   7.347561   6.781299   8.421037
    23  C    5.760664   6.516752   6.481591   6.186320   7.572217
    24  O    7.904694   8.717398   8.672319   8.135595   9.756851
    25  C    8.576434   9.296565   9.257369   8.958416  10.363688
    26  H    5.104522   6.126762   6.070635   4.776339   6.927922
    27  H    7.134335   8.081934   8.026957   7.027681   9.008393
    28  H    6.353021   7.000245   6.972243   6.911594   8.066592
    29  H    8.443022   8.995216   9.207235   8.896994  10.079229
    30  H    9.623637  10.352589  10.311035   9.966647  11.418813
    31  H    8.440353   9.234187   8.951169   8.888967  10.285398
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.767837   0.000000
    18  O    3.875218   2.937669   0.000000
    19  O    4.574738   4.007113   2.214648   0.000000
    20  H    4.503661   4.167859   2.999728   0.969418   0.000000
    21  C    6.868934   7.434793   8.279206   6.700937   5.746361
    22  C    7.166385   7.463241   8.468933   6.948208   6.036538
    23  C    6.392310   6.436825   7.534054   6.164593   5.331563
    24  O    8.465376   8.747212   9.785502   8.223668   7.313334
    25  C    9.097754   9.165467  10.301990   8.824403   7.975748
    26  H    5.815769   6.686020   7.246632   5.756510   4.837825
    27  H    7.742761   8.423149   9.212580   7.581066   6.616284
    28  H    6.928308   6.758567   7.941671   6.674320   5.919869
    29  H    8.740194   8.788352  10.202161   8.923130   8.115334
    30  H   10.123477  10.238177  11.367656   9.843643   8.980441
    31  H    9.163382   9.045283   9.962484   8.422145   7.614280
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.416839   0.000000
    23  C    2.420901   1.375141   0.000000
    24  O    2.336214   1.357104   2.423913   0.000000
    25  C    3.646295   2.380734   2.817996   1.418127   0.000000
    26  H    2.124000   3.397627   3.882720   4.459807   5.739791
    27  H    1.081593   2.149141   3.382997   2.508739   3.925657
    28  H    3.411063   2.146058   1.080107   2.723604   2.535758
    29  H    4.018533   2.704479   2.807774   2.080774   1.093710
    30  H    4.346083   3.253696   3.879451   2.011208   1.086922
    31  H    4.016584   2.703284   2.807024   2.080662   1.093697
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471570   0.000000
    28  H    4.962725   4.284853   0.000000
    29  H    6.017832   4.426185   2.330573   0.000000
    30  H    6.470070   4.384209   3.615499   1.780738   0.000000
    31  H    6.015122   4.424494   2.331397   1.784321   1.780768
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.22D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.701650    0.861049   -0.150441
      2          6           0       -1.142583   -0.492061   -0.146036
      3          6           0        0.680291    1.135563   -0.261208
      4          6           0        1.611358    0.129451   -0.370251
      5          6           0        1.162418   -1.214398   -0.360965
      6          6           0       -0.168407   -1.514023   -0.252411
      7          6           0       -1.673067    1.886980   -0.044418
      8          1           0        1.002631    2.171223   -0.269064
      9          1           0        1.887775   -2.015222   -0.432725
     10          1           0       -0.492297   -2.547618   -0.243597
     11          6           0        3.089483    0.433563   -0.483088
     12          6           0        3.712284   -0.066300   -1.786151
     13          6           0        3.873459   -0.077627    0.733351
     14          1           0        3.203190    1.522932   -0.441764
     15          1           0        4.768168    0.193895   -1.827559
     16          1           0        3.198059    0.378934   -2.637902
     17          1           0        3.635566   -1.150409   -1.866576
     18          8           0        4.972607   -0.550358    0.679433
     19          8           0        3.255984    0.083411    1.926913
     20          1           0        2.348270    0.392671    1.784838
     21          6           0       -3.000863    1.591354    0.061295
     22          6           0       -3.436799    0.243260    0.067154
     23          6           0       -2.523995   -0.780170   -0.034789
     24          8           0       -4.779617    0.081304    0.178247
     25          6           0       -5.294817   -1.239834    0.194020
     26          1           0       -1.347302    2.919928   -0.048267
     27          1           0       -3.748933    2.368268    0.142782
     28          1           0       -2.835427   -1.814402   -0.032567
     29          1           0       -5.057543   -1.768200   -0.733736
     30          1           0       -6.373003   -1.140865    0.289516
     31          1           0       -4.903616   -1.806841    1.043513
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3888905           0.2034593           0.1967639
 Leave Link  202 at Thu Aug 12 21:15:42 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.2190356318 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:15:45 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.41D-06  NBF=   517
 NBsUse=   513 1.00D-06 EigRej=  9.55D-07 NBFU=   513
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 21:15:46 2021, MaxMem=  5368709120 cpu:               9.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:15:47 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer01_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:15:49 2021, MaxMem=  5368709120 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.257149573247    
 DIIS: error= 2.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.257149573247     IErMin= 1 ErrMin= 2.62D-03
 ErrMax= 2.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-02 BMatP= 2.14D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 GapD=    0.323 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.73D-02 MaxDP=8.78D+00              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.48D-02    CP:  1.96D+00
 E= -767.277406299048     Delta-E=       -0.020256725801 Rises=F Damp=F
 DIIS: error= 7.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.277406299048     IErMin= 2 ErrMin= 7.76D-04
 ErrMax= 7.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-03 BMatP= 2.14D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.76D-03
 Coeff-Com:  0.605D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.600D-02 0.994D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.61D-02 MaxDP=1.62D+00 DE=-2.03D-02 OVMax= 9.33D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.34D-03    CP:  2.13D+00  1.18D+00
 E= -767.277901703174     Delta-E=       -0.000495404126 Rises=F Damp=F
 DIIS: error= 6.43D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.277901703174     IErMin= 3 ErrMin= 6.43D-04
 ErrMax= 6.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-04 BMatP= 1.01D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 6.43D-03
 Coeff-Com: -0.471D-01 0.510D+00 0.537D+00
 Coeff-En:   0.000D+00 0.252D+00 0.748D+00
 Coeff:     -0.467D-01 0.508D+00 0.539D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.79D-03 MaxDP=1.79D-01 DE=-4.95D-04 OVMax= 4.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.95D-04    CP:  2.15D+00  1.20D+00  1.11D+00
 E= -767.278534951943     Delta-E=       -0.000633248768 Rises=F Damp=F
 DIIS: error= 8.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.278534951943     IErMin= 4 ErrMin= 8.85D-05
 ErrMax= 8.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-05 BMatP= 9.46D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.764D-02 0.655D-02 0.946D-01 0.906D+00
 Coeff:     -0.764D-02 0.655D-02 0.946D-01 0.906D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=3.83D-04 MaxDP=3.25D-02 DE=-6.33D-04 OVMax= 1.44D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.91D-04    CP:  2.16D+00  1.20D+00  1.19D+00  1.40D+00
 E= -767.278558125386     Delta-E=       -0.000023173443 Rises=F Damp=F
 DIIS: error= 4.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.278558125386     IErMin= 5 ErrMin= 4.40D-05
 ErrMax= 4.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-06 BMatP= 1.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-02-0.500D-01-0.199D-01 0.403D+00 0.665D+00
 Coeff:      0.163D-02-0.500D-01-0.199D-01 0.403D+00 0.665D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=9.11D-05 MaxDP=6.87D-03 DE=-2.32D-05 OVMax= 6.67D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.59D-05    CP:  2.16D+00  1.20D+00  1.20D+00  1.53D+00  1.26D+00
 E= -767.278564180638     Delta-E=       -0.000006055252 Rises=F Damp=F
 DIIS: error= 2.04D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.278564180638     IErMin= 6 ErrMin= 2.04D-05
 ErrMax= 2.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-07 BMatP= 5.52D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-02-0.208D-01-0.239D-01 0.286D-01 0.259D+00 0.755D+00
 Coeff:      0.180D-02-0.208D-01-0.239D-01 0.286D-01 0.259D+00 0.755D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=6.22D-05 MaxDP=6.46D-03 DE=-6.06D-06 OVMax= 3.64D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.45D-05    CP:  2.16D+00  1.20D+00  1.20D+00  1.57D+00  1.38D+00
                    CP:  1.35D+00
 E= -767.278565207452     Delta-E=       -0.000001026814 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.278565207452     IErMin= 7 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-08 BMatP= 6.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-03 0.184D-02-0.435D-02-0.607D-01-0.270D-01 0.241D+00
 Coeff-Com:  0.849D+00
 Coeff:      0.312D-03 0.184D-02-0.435D-02-0.607D-01-0.270D-01 0.241D+00
 Coeff:      0.849D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=3.41D-05 MaxDP=3.45D-03 DE=-1.03D-06 OVMax= 2.20D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.59D-06    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.44D+00
                    CP:  1.47D+00  1.66D+00
 E= -767.278565437038     Delta-E=       -0.000000229586 Rises=F Damp=F
 DIIS: error= 4.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.278565437038     IErMin= 8 ErrMin= 4.14D-06
 ErrMax= 4.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-08 BMatP= 9.01D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.203D-03 0.375D-02 0.292D-02-0.210D-01-0.463D-01-0.592D-01
 Coeff-Com:  0.223D+00 0.898D+00
 Coeff:     -0.203D-03 0.375D-02 0.292D-02-0.210D-01-0.463D-01-0.592D-01
 Coeff:      0.223D+00 0.898D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=8.56D-06 MaxDP=8.04D-04 DE=-2.30D-07 OVMax= 1.11D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.45D-06    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.52D+00  1.89D+00  1.46D+00
 E= -767.278565477398     Delta-E=       -0.000000040360 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.278565477398     IErMin= 9 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-09 BMatP= 1.33D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.114D-02 0.192D-02 0.769D-03-0.142D-01-0.631D-01
 Coeff-Com: -0.484D-01 0.381D+00 0.741D+00
 Coeff:     -0.121D-03 0.114D-02 0.192D-02 0.769D-03-0.142D-01-0.631D-01
 Coeff:     -0.484D-01 0.381D+00 0.741D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=3.39D-06 MaxDP=2.85D-04 DE=-4.04D-08 OVMax= 3.93D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.15D-06    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  1.99D+00  1.63D+00  1.27D+00
 E= -767.278565484113     Delta-E=       -0.000000006715 Rises=F Damp=F
 DIIS: error= 4.21D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.278565484113     IErMin=10 ErrMin= 4.21D-07
 ErrMax= 4.21D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-10 BMatP= 3.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-06-0.300D-03 0.662D-04 0.356D-02 0.412D-02-0.497D-02
 Coeff-Com: -0.479D-01-0.565D-01 0.148D+00 0.954D+00
 Coeff:     -0.156D-06-0.300D-03 0.662D-04 0.356D-02 0.412D-02-0.497D-02
 Coeff:     -0.479D-01-0.565D-01 0.148D+00 0.954D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.65D-06 MaxDP=2.67D-04 DE=-6.72D-09 OVMax= 1.81D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.80D-07    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.03D+00  1.71D+00  1.39D+00  1.31D+00
 E= -767.278565484930     Delta-E=       -0.000000000817 Rises=F Damp=F
 DIIS: error= 1.84D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.278565484930     IErMin=11 ErrMin= 1.84D-07
 ErrMax= 1.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-11 BMatP= 2.63D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-04-0.260D-03-0.208D-03 0.131D-02 0.335D-02 0.575D-02
 Coeff-Com: -0.129D-01-0.647D-01-0.376D-01 0.364D+00 0.742D+00
 Coeff:      0.148D-04-0.260D-03-0.208D-03 0.131D-02 0.335D-02 0.575D-02
 Coeff:     -0.129D-01-0.647D-01-0.376D-01 0.364D+00 0.742D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=4.27D-07 MaxDP=4.25D-05 DE=-8.17D-10 OVMax= 5.39D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.07D-07    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.03D+00  1.73D+00  1.44D+00  1.41D+00
                    CP:  1.15D+00
 E= -767.278565485149     Delta-E=       -0.000000000219 Rises=F Damp=F
 DIIS: error= 9.60D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.278565485149     IErMin=12 ErrMin= 9.60D-08
 ErrMax= 9.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-12 BMatP= 5.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-05-0.141D-04-0.614D-04-0.255D-03 0.134D-03 0.224D-02
 Coeff-Com:  0.433D-02-0.538D-02-0.369D-01-0.554D-01 0.193D+00 0.899D+00
 Coeff:      0.333D-05-0.141D-04-0.614D-04-0.255D-03 0.134D-03 0.224D-02
 Coeff:      0.433D-02-0.538D-02-0.369D-01-0.554D-01 0.193D+00 0.899D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.27D-07 MaxDP=2.55D-05 DE=-2.19D-10 OVMax= 3.34D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.74D-08    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.04D+00  1.73D+00  1.46D+00  1.45D+00
                    CP:  1.25D+00  1.30D+00
 E= -767.278565485038     Delta-E=        0.000000000111 Rises=F Damp=F
 DIIS: error= 4.56D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.278565485149     IErMin=13 ErrMin= 4.56D-08
 ErrMax= 4.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-12 BMatP= 6.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-05 0.362D-04 0.153D-04-0.267D-03-0.476D-03-0.265D-03
 Coeff-Com:  0.291D-02 0.904D-02-0.567D-02-0.687D-01-0.649D-01 0.223D+00
 Coeff-Com:  0.905D+00
 Coeff:     -0.138D-05 0.362D-04 0.153D-04-0.267D-03-0.476D-03-0.265D-03
 Coeff:      0.291D-02 0.904D-02-0.567D-02-0.687D-01-0.649D-01 0.223D+00
 Coeff:      0.905D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.13D-07 MaxDP=1.15D-05 DE= 1.11D-10 OVMax= 1.79D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.60D-08    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.04D+00  1.73D+00  1.46D+00  1.47D+00
                    CP:  1.29D+00  1.41D+00  1.38D+00
 E= -767.278565485137     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 2.96D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -767.278565485149     IErMin=14 ErrMin= 2.96D-08
 ErrMax= 2.96D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-13 BMatP= 1.31D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-05 0.141D-04 0.211D-04-0.116D-04-0.175D-03-0.678D-03
 Coeff-Com: -0.290D-03 0.429D-02 0.726D-02-0.564D-02-0.644D-01-0.170D+00
 Coeff-Com:  0.250D+00 0.980D+00
 Coeff:     -0.128D-05 0.141D-04 0.211D-04-0.116D-04-0.175D-03-0.678D-03
 Coeff:     -0.290D-03 0.429D-02 0.726D-02-0.564D-02-0.644D-01-0.170D+00
 Coeff:      0.250D+00 0.980D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=4.82D-08 MaxDP=4.25D-06 DE=-9.85D-11 OVMax= 1.17D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  2.48D-08    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.04D+00  1.73D+00  1.46D+00  1.47D+00
                    CP:  1.30D+00  1.45D+00  1.62D+00  1.46D+00
 E= -767.278565484985     Delta-E=        0.000000000151 Rises=F Damp=F
 DIIS: error= 9.66D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=12 EnMin= -767.278565485149     IErMin=15 ErrMin= 9.66D-09
 ErrMax= 9.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.04D-14 BMatP= 3.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-06-0.620D-05 0.346D-06 0.614D-04 0.829D-04-0.778D-04
 Coeff-Com: -0.722D-03-0.135D-02 0.256D-02 0.152D-01 0.601D-02-0.841D-01
 Coeff-Com: -0.170D+00 0.161D+00 0.107D+01
 Coeff:      0.113D-06-0.620D-05 0.346D-06 0.614D-04 0.829D-04-0.778D-04
 Coeff:     -0.722D-03-0.135D-02 0.256D-02 0.152D-01 0.601D-02-0.841D-01
 Coeff:     -0.170D+00 0.161D+00 0.107D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=3.17D-08 MaxDP=2.21D-06 DE= 1.51D-10 OVMax= 5.47D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  9.26D-09    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.04D+00  1.73D+00  1.46D+00  1.48D+00
                    CP:  1.31D+00  1.45D+00  1.74D+00  1.80D+00  1.35D+00
 E= -767.278565484948     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 2.84D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=12 EnMin= -767.278565485149     IErMin=16 ErrMin= 2.84D-09
 ErrMax= 2.84D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-15 BMatP= 5.04D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-06-0.332D-05-0.260D-05 0.177D-04 0.458D-04 0.617D-04
 Coeff-Com: -0.138D-03-0.874D-03-0.184D-03 0.448D-02 0.963D-02-0.178D-03
 Coeff-Com: -0.703D-01-0.824D-01 0.273D+00 0.866D+00
 Coeff:      0.191D-06-0.332D-05-0.260D-05 0.177D-04 0.458D-04 0.617D-04
 Coeff:     -0.138D-03-0.874D-03-0.184D-03 0.448D-02 0.963D-02-0.178D-03
 Coeff:     -0.703D-01-0.824D-01 0.273D+00 0.866D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.24D-08 MaxDP=1.27D-06 DE= 3.73D-11 OVMax= 1.12D-07

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  2.83D-09    CP:  2.16D+00  1.20D+00  1.20D+00  1.58D+00  1.45D+00
                    CP:  1.53D+00  2.04D+00  1.73D+00  1.46D+00  1.48D+00
                    CP:  1.31D+00  1.45D+00  1.75D+00  1.85D+00  1.45D+00
                    CP:  1.21D+00
 E= -767.278565485106     Delta-E=       -0.000000000158 Rises=F Damp=F
 DIIS: error= 7.63D-10 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=12 EnMin= -767.278565485149     IErMin=17 ErrMin= 7.63D-10
 ErrMax= 7.63D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-16 BMatP= 6.13D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 17 BigCof=    0.00 CofMax=   10.00 Det=-3.67D-15
 Inversion failed.  Reducing to 16 matrices.
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-3.99D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com: -0.482D-06-0.227D-05 0.122D-05 0.155D-04 0.411D-04-0.355D-04
 Coeff-Com: -0.263D-03-0.761D-03 0.108D-02 0.867D-02 0.446D-02-0.359D-01
 Coeff-Com: -0.641D-01 0.161D+00 0.926D+00
 Coeff:     -0.482D-06-0.227D-05 0.122D-05 0.155D-04 0.411D-04-0.355D-04
 Coeff:     -0.263D-03-0.761D-03 0.108D-02 0.867D-02 0.446D-02-0.359D-01
 Coeff:     -0.641D-01 0.161D+00 0.926D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.06D-09 MaxDP=1.62D-07 DE=-1.58D-10 OVMax= 3.83D-08

 SCF Done:  E(RM11) =  -767.278565485     A.U. after   17 cycles
            NFock= 17  Conv=0.21D-08     -V/T= 2.0063
 KE= 7.624558763651D+02 PE=-4.055040467178D+03 EE= 1.391086989696D+03
 Leave Link  502 at Thu Aug 12 21:48:26 2021, MaxMem=  5368709120 cpu:           15643.1 elap:            1956.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   513
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    513 NOA=    61 NOB=    61 NVA=   452 NVB=   452

 **** Warning!!: The largest alpha MO coefficient is  0.12673169D+03

 Leave Link  801 at Thu Aug 12 21:48:26 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.60D-13 8.33D-09 XBig12= 1.00D+00 4.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.60D-13 8.33D-09 XBig12= 2.04D-01 8.47D-02.
     11 vectors produced by pass  2 Test12= 4.60D-13 8.33D-09 XBig12= 4.37D-02 9.09D-02.
     11 vectors produced by pass  3 Test12= 4.60D-13 8.33D-09 XBig12= 6.48D-03 2.90D-02.
     11 vectors produced by pass  4 Test12= 4.60D-13 8.33D-09 XBig12= 1.15D-03 9.14D-03.
     11 vectors produced by pass  5 Test12= 4.60D-13 8.33D-09 XBig12= 1.64D-04 2.62D-03.
     11 vectors produced by pass  6 Test12= 4.60D-13 8.33D-09 XBig12= 1.08D-05 5.92D-04.
     11 vectors produced by pass  7 Test12= 4.60D-13 8.33D-09 XBig12= 4.73D-07 7.55D-05.
     11 vectors produced by pass  8 Test12= 4.60D-13 8.33D-09 XBig12= 2.43D-08 1.81D-05.
     11 vectors produced by pass  9 Test12= 4.60D-13 8.33D-09 XBig12= 1.10D-09 4.44D-06.
     11 vectors produced by pass 10 Test12= 4.60D-13 8.33D-09 XBig12= 4.32D-11 8.13D-07.
      8 vectors produced by pass 11 Test12= 4.60D-13 8.33D-09 XBig12= 1.67D-12 1.23D-07.
      6 vectors produced by pass 12 Test12= 4.60D-13 8.33D-09 XBig12= 1.10D-13 2.09D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.10D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.297612D+03
      2 -0.875968D+01  0.173486D+03
      3 -0.129542D+02  0.205088D+01  0.122618D+03
 Isotropic polarizability for W=    0.088559      197.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.270613D+03 -0.871520D+02  0.437466D+02
      2   0.865743D+02  0.678857D+02  0.720101D+01
      3   0.184039D+03  0.192663D+02 -0.509476D+02
      4  -0.790546D+02 -0.168818D+03 -0.141724D+01
      5  -0.356983D+02 -0.267249D+01  0.695251D+02
      6  -0.390974D+01 -0.469359D+02 -0.129430D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.285785D+01 -0.257346D+02  0.346599D+01
      2   0.451075D+02  0.826593D+00  0.283880D+02
      3   0.747955D+02  0.691601D+02 -0.265321D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.125525D+01 -0.541369D+02  0.322092D+02
      2   0.794449D+02  0.249250D+01 -0.114514D+03
      3   0.809731D+01  0.255392D+03 -0.123725D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.122712D+01 -0.167971D+01 -0.145271D+02
      2  -0.167971D+01 -0.213241D+01 -0.677724D+01
      3  -0.145271D+02 -0.677724D+01 -0.132494D+01
 OR G Eigenvalues:   -18.1058    -0.6885    14.1099  Iso=     1.5615
 Eigenvectors:
   (1)   0.629168   0.358721   0.689541
   (2)  -0.417895   0.904121  -0.089047
   (3)  -0.655371  -0.232130   0.718752
 w=    0.088559 a.u., Optical Rotation Beta=      1.5615 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      343.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 7.23D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.99D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.66D-14 2.78D-09 XBig12= 1.00D+00 3.97D-01.
     30 vectors produced by pass  1 Test12= 7.66D-14 2.78D-09 XBig12= 5.38D-02 3.77D-02.
     30 vectors produced by pass  2 Test12= 7.66D-14 2.78D-09 XBig12= 5.51D-03 1.28D-02.
     30 vectors produced by pass  3 Test12= 7.66D-14 2.78D-09 XBig12= 1.41D-04 1.69D-03.
     30 vectors produced by pass  4 Test12= 7.66D-14 2.78D-09 XBig12= 4.52D-06 1.97D-04.
     30 vectors produced by pass  5 Test12= 7.66D-14 2.78D-09 XBig12= 1.41D-07 3.51D-05.
     30 vectors produced by pass  6 Test12= 7.66D-14 2.78D-09 XBig12= 2.53D-09 4.70D-06.
     30 vectors produced by pass  7 Test12= 7.66D-14 2.78D-09 XBig12= 4.11D-11 6.36D-07.
     30 vectors produced by pass  8 Test12= 7.66D-14 2.78D-09 XBig12= 5.78D-13 5.77D-08.
      9 vectors produced by pass  9 Test12= 7.66D-14 2.78D-09 XBig12= 3.31D-14 3.06D-08.
      4 vectors produced by pass 10 Test12= 7.66D-14 2.78D-09 XBig12= 4.65D-15 6.06D-09.
      3 vectors produced by pass 11 Test12= 7.66D-14 2.78D-09 XBig12= 8.32D-15 6.21D-09.
      3 vectors produced by pass 12 Test12= 7.66D-14 2.78D-09 XBig12= 3.11D-15 3.65D-09.
      2 vectors produced by pass 13 Test12= 7.66D-14 2.78D-09 XBig12= 3.28D-15 3.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   291 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.43D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.43D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.18D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.297612D+03 -0.875968D+01 -0.129542D+02
      2  -0.875968D+01  0.173486D+03  0.205088D+01
      3  -0.129542D+02  0.205088D+01  0.122618D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.285785D+01 -0.257346D+02  0.346599D+01
      2   0.451075D+02  0.826593D+00  0.283880D+02
      3   0.747955D+02  0.691601D+02 -0.265321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.270613D+03 -0.871520D+02  0.437466D+02
      2   0.865743D+02  0.678857D+02  0.720101D+01
      3   0.184039D+03  0.192663D+02 -0.509476D+02
      4  -0.790546D+02 -0.168818D+03 -0.141724D+01
      5  -0.356983D+02 -0.267249D+01  0.695251D+02
      6  -0.390974D+01 -0.469359D+02 -0.129430D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311960D+02 -0.154414D+01 -0.212388D+01  0.472308D+02 -0.809185D+01
      2  -0.154414D+01 -0.636215D+00  0.291616D+00 -0.809185D+01  0.895272D+01
      3  -0.212388D+01  0.291616D+00 -0.821356D-01 -0.373978D+01  0.775571D+00
                 6             7             8             9            10 
      1  -0.373978D+01 -0.118234D+01 -0.523879D-01  0.108707D+01 -0.355814D+02
      2   0.775571D+00 -0.523879D-01  0.157028D+00  0.132635D+01  0.201641D+01
      3  -0.395129D+00  0.108707D+01  0.132635D+01 -0.482847D-01  0.232414D+01
                11            12            13            14            15 
      1   0.201641D+01  0.232414D+01 -0.473724D+02  0.750871D+01  0.379716D+01
      2  -0.417446D+01 -0.211001D+00  0.750871D+01 -0.720047D+01 -0.835470D+00
      3  -0.211001D+00  0.217851D+00  0.379716D+01 -0.835470D+00  0.421393D+00
                16            17            18            19            20 
      1   0.176044D+01 -0.766440D-01 -0.112549D+01 -0.405660D+02  0.495197D+01
      2  -0.766440D-01  0.300693D+00 -0.110806D+01  0.495197D+01 -0.423120D+01
      3  -0.112549D+01 -0.110806D+01 -0.343764D-01  0.245391D+01 -0.278297D+00
                21            22            23            24            25 
      1   0.245391D+01  0.172812D+02 -0.216834D+01 -0.424890D+00  0.390838D+01
      2  -0.278297D+00 -0.216834D+01  0.314036D+01  0.263076D+00  0.143440D+00
      3  -0.403277D+00 -0.424890D+00  0.263076D+00  0.243374D+01  0.124140D+01
                26            27            28            29            30 
      1   0.143440D+00  0.124140D+01  0.436940D+02 -0.299329D+01 -0.177012D+01
      2   0.178190D+00  0.357001D+01 -0.299329D+01  0.367790D+01  0.262277D+00
      3   0.357001D+01 -0.434005D-01 -0.177012D+01  0.262277D+00  0.236124D+01
                31            32            33            34            35 
      1  -0.661615D+01  0.103293D+01  0.298399D+00 -0.145110D+01  0.108806D+00
      2   0.103293D+01 -0.754314D+01 -0.578202D+00  0.108806D+00 -0.901988D+00
      3   0.298399D+00 -0.578202D+00 -0.626503D+00  0.590955D+01 -0.648207D+00
                36            37            38            39            40 
      1   0.590955D+01  0.949803D+01 -0.708463D-01 -0.254855D+00 -0.625035D+01
      2  -0.648207D+00 -0.708463D-01  0.814143D+01  0.293169D+00  0.133875D+01
      3  -0.922399D+00 -0.254855D+00  0.293169D+00  0.240148D+01  0.423905D-01
                41            42            43            44            45 
      1   0.133875D+01  0.423905D-01 -0.872327D+00 -0.162766D+00  0.422997D+01
      2   0.370418D+01  0.148394D+00 -0.162766D+00 -0.579773D+00 -0.225357D+01
      3   0.148394D+00 -0.958432D+00  0.422997D+01 -0.225357D+01 -0.125742D+01
                46            47            48            49            50 
      1  -0.132435D+02  0.151456D+01  0.101925D+01 -0.864934D+00  0.103102D+01
      2   0.151456D+01 -0.517026D+01 -0.877151D+00  0.103102D+01 -0.211403D+00
      3   0.101925D+01 -0.877151D+00 -0.206772D+01 -0.427987D-02  0.382257D-02
                51            52            53            54            55 
      1  -0.427987D-02  0.975820D+00 -0.523782D+00 -0.115421D+01  0.146944D+02
      2   0.382257D-02 -0.523782D+00  0.597793D+00 -0.383702D+01 -0.348904D+01
      3  -0.174313D+01 -0.115421D+01 -0.383702D+01 -0.947622D-01 -0.984455D+00
                56            57            58            59            60 
      1  -0.348904D+01 -0.984455D+00 -0.109720D+01 -0.972477D+00  0.236052D+00
      2   0.991218D+01  0.652416D+00 -0.972477D+00 -0.580267D+00 -0.416716D-01
      3   0.652416D+00  0.230244D+01  0.236052D+00 -0.416716D-01  0.188437D+01
                61            62            63            64            65 
      1  -0.118433D+01  0.608693D+00  0.106304D+01  0.119137D+01  0.226237D+01
      2   0.608693D+00 -0.104171D+01  0.383794D+01  0.226237D+01  0.157752D+01
      3   0.106304D+01  0.383794D+01 -0.269984D+00 -0.799826D-01 -0.164057D+00
                66            67            68            69            70 
      1  -0.799826D-01  0.244715D+01  0.302052D+01 -0.111157D+00 -0.208547D+00
      2  -0.164057D+00  0.302052D+01  0.766971D+01 -0.222302D+00 -0.164875D+00
      3   0.175698D+00 -0.111157D+00 -0.222302D+00  0.816319D+00 -0.551009D-01
                71            72            73            74            75 
      1  -0.164875D+00 -0.551009D-01  0.645708D+01 -0.310907D+01 -0.645326D+00
      2  -0.353066D-01  0.182115D+00 -0.310907D+01  0.272910D+01  0.248889D+00
      3   0.182115D+00 -0.442333D-01 -0.645326D+00  0.248889D+00  0.594097D+00
                76            77            78            79            80 
      1  -0.388441D+01  0.407656D+01  0.413188D+00 -0.785672D+00  0.253282D+00
      2   0.407656D+01 -0.500150D+01 -0.448593D+00  0.253282D+00 -0.238455D+00
      3   0.413188D+00 -0.448593D+00 -0.699857D+00 -0.224870D+00 -0.292133D+00
                81            82            83            84            85 
      1  -0.224870D+00 -0.111460D+01 -0.155931D+01  0.442504D-01 -0.734486D+00
      2  -0.292133D+00 -0.155931D+01 -0.216709D+01  0.510683D-01 -0.147203D+01
      3  -0.312559D-01  0.442504D-01  0.510683D-01 -0.157780D+00 -0.698684D-01
                86            87            88            89            90 
      1  -0.147203D+01 -0.698684D-01  0.174009D+00  0.952053D-01  0.968698D-01
      2  -0.100814D+02 -0.137764D+00  0.952053D-01 -0.100446D-01 -0.217175D+00
      3  -0.137764D+00 -0.874439D+00  0.968698D-01 -0.217175D+00 -0.681883D-02
                91            92            93            94            95 
      1  -0.143505D+02  0.202818D+01 -0.256027D-03  0.215846D+01 -0.816903D+00
      2   0.202818D+01 -0.259795D+00 -0.390298D-01 -0.816903D+00 -0.522470D+01
      3  -0.256027D-03 -0.390298D-01 -0.365791D+01 -0.942906D+00 -0.669817D-01
                96            97            98            99           100 
      1  -0.942906D+00  0.262805D+00 -0.476562D+00 -0.773099D+01 -0.709495D+01
      2  -0.669817D-01 -0.476562D+00 -0.368832D+00  0.144408D+01 -0.244788D+01
      3   0.158523D+01 -0.773099D+01  0.144408D+01 -0.166122D-01  0.128205D+01
               101           102           103           104           105 
      1  -0.244788D+01  0.128205D+01 -0.598585D+01  0.637923D+00  0.946044D+00
      2   0.240948D+00 -0.250782D+00  0.637923D+00  0.465455D+01  0.127076D+01
      3  -0.250782D+00  0.364732D+01  0.946044D+00  0.127076D+01 -0.305870D+01
               106           107           108           109           110 
      1  -0.463374D+01  0.535762D+00  0.554158D+01 -0.562686D+01  0.209618D+01
      2   0.535762D+00  0.634779D+00 -0.239157D+01  0.209618D+01 -0.441285D+00
      3   0.554158D+01 -0.239157D+01 -0.256860D+00  0.302835D+00  0.214209D+00
               111           112           113           114           115 
      1   0.302835D+00  0.126740D+01 -0.380200D+00  0.514072D+00  0.666321D+01
      2   0.214209D+00 -0.380200D+00  0.823381D+00  0.337985D+00 -0.257328D+00
      3   0.166668D+01  0.514072D+00  0.337985D+00 -0.995627D+00  0.411768D+01
               116           117           118           119           120 
      1  -0.257328D+00  0.411768D+01 -0.105269D+01  0.142230D+01  0.997988D-01
      2   0.130286D+01 -0.520147D+00  0.142230D+01  0.824736D+00 -0.859521D-01
      3  -0.520147D+00  0.107230D+01  0.997988D-01 -0.859521D-01  0.837060D+00
               121           122           123           124           125 
      1   0.307225D+01  0.201412D+01 -0.225842D-01  0.549046D+00 -0.264475D-01
      2   0.201412D+01  0.677446D+01 -0.223324D+00 -0.264475D-01 -0.266235D-01
      3  -0.225842D-01 -0.223324D+00  0.136315D+01  0.123599D+01  0.891901D+00
               126           127           128           129           130 
      1   0.123599D+01  0.145497D+02  0.138478D+01 -0.329309D+01  0.297372D+01
      2   0.891901D+00  0.138478D+01  0.112688D+01 -0.176281D+00  0.153180D+01
      3  -0.253902D+00 -0.329309D+01 -0.176281D+00  0.204423D+01 -0.844149D+00
               131           132           133           134           135 
      1   0.153180D+01 -0.844149D+00 -0.109108D+01 -0.204476D+00  0.120050D+01
      2   0.263900D+00 -0.498097D+00 -0.204476D+00 -0.394673D-02  0.467951D+00
      3  -0.498097D+00  0.926069D+00  0.120050D+01  0.467951D+00 -0.540101D+00
               136           137           138           139           140 
      1  -0.541692D+00  0.619148D+00 -0.983622D+00  0.128455D+01 -0.868986D-01
      2   0.619148D+00 -0.619761D+00  0.479174D+00 -0.868986D-01  0.758829D+00
      3  -0.983622D+00  0.479174D+00 -0.300674D+01 -0.184325D+00 -0.162168D+01
               141           142           143           144           145 
      1  -0.184325D+00 -0.636145D+00  0.208496D-02 -0.554916D+00  0.565754D+00
      2  -0.162168D+01  0.208496D-02 -0.131750D+01  0.165916D+01 -0.792411D+00
      3   0.281791D+01 -0.554916D+00  0.165916D+01 -0.705578D+01 -0.946738D-01
               146           147           148           149           150 
      1  -0.792411D+00 -0.946738D-01 -0.235039D+01  0.768785D+00  0.931384D+00
      2   0.623984D-01  0.483739D-01  0.768785D+00 -0.623400D+01 -0.167453D+01
      3   0.483739D-01 -0.546122D+00  0.931384D+00 -0.167453D+01 -0.194050D+01
               151           152           153           154           155 
      1   0.316366D+00  0.247697D+00 -0.264392D+00  0.184873D+02 -0.334043D+01
      2   0.247697D+00 -0.752069D+00 -0.812048D+00 -0.334043D+01  0.189810D+01
      3  -0.264392D+00 -0.812048D+00 -0.701826D+00  0.820626D+00 -0.202315D+00
               156           157           158           159           160 
      1   0.820626D+00 -0.553384D+01  0.449539D+01 -0.486418D+00  0.138363D+01
      2  -0.202315D+00  0.449539D+01 -0.295758D+01  0.216878D+00 -0.368998D+00
      3   0.249721D+01 -0.486418D+00  0.216878D+00 -0.842404D+00  0.264145D+01
               161           162           163           164           165 
      1  -0.368998D+00  0.264145D+01  0.101236D+02 -0.116761D+01  0.359901D+01
      2  -0.424230D+00 -0.907449D+00 -0.116761D+01  0.966929D-01  0.166720D+00
      3  -0.907449D+00 -0.239426D+00  0.359901D+01  0.166720D+00  0.787512D+00
               166           167           168           169           170 
      1  -0.320185D+01  0.149804D+00 -0.552818D+00  0.170485D+01  0.371027D+00
      2   0.149804D+00  0.241188D+00  0.147700D+01  0.371027D+00  0.384174D+00
      3  -0.552818D+00  0.147700D+01 -0.360927D+00  0.756386D+00  0.258848D+00
               171           172           173           174           175 
      1   0.756386D+00 -0.925927D+01  0.950754D+00 -0.176155D+01  0.262682D+01
      2   0.258848D+00  0.950754D+00 -0.339268D+00 -0.158075D+00 -0.122100D+00
      3   0.726295D+01 -0.176155D+01 -0.158075D+00 -0.241395D+01  0.443151D+00
               176           177           178           179           180 
      1  -0.122100D+00  0.443151D+00 -0.486320D+01  0.722996D-01 -0.201325D+01
      2   0.590259D+00  0.675110D+00  0.722996D-01  0.937625D+00  0.243757D+00
      3   0.675110D+00  0.880787D+00 -0.201325D+01  0.243757D+00  0.411719D+00
               181           182           183           184           185 
      1  -0.126167D+02  0.878129D+00  0.373378D+00  0.527478D+01  0.257150D+00
      2   0.878129D+00 -0.104274D+02  0.139637D+00  0.257150D+00 -0.667928D+01
      3   0.373378D+00  0.139637D+00 -0.275611D+01 -0.173451D+00 -0.124748D+00
               186           187           188           189           190 
      1  -0.173451D+00  0.271408D+00  0.304375D+00 -0.495624D+01 -0.393936D+02
      2  -0.124748D+00  0.304375D+00  0.576623D+00  0.294183D+01  0.906907D+00
      3   0.140430D+01 -0.495624D+01  0.294183D+01  0.117816D+01  0.201212D+01
               191           192           193           194           195 
      1   0.906907D+00  0.201212D+01  0.146126D+02 -0.624067D+00 -0.840992D+00
      2  -0.706029D+01 -0.114919D+00 -0.624067D+00  0.138861D+02  0.153263D+00
      3  -0.114919D+00 -0.445541D+01 -0.840992D+00  0.153263D+00  0.398490D+00
               196           197           198           199           200 
      1   0.242747D+01  0.111382D+00 -0.684684D+01  0.405819D+02 -0.361909D+01
      2   0.111382D+00  0.902438D+00  0.610637D+00 -0.361909D+01  0.842295D+01
      3  -0.684684D+01  0.610637D+00  0.136385D+01 -0.287545D+01  0.309519D-01
               201           202           203           204           205 
      1  -0.287545D+01 -0.174506D+02 -0.308444D+00  0.103519D+01 -0.377114D+01
      2   0.309519D-01 -0.308444D+00 -0.509729D+01  0.954701D-01 -0.205931D-02
      3   0.591015D+00  0.103519D+01  0.954701D-01 -0.304322D+01  0.371228D+00
               206           207           208           209           210 
      1  -0.205931D-02  0.371228D+00  0.798188D+01  0.138441D+01 -0.487054D+00
      2  -0.690794D+00 -0.359511D+01  0.138441D+01  0.218709D+01  0.156251D-01
      3  -0.359511D+01 -0.268799D+00 -0.487054D+00  0.156251D-01  0.982810D+00
               211           212           213           214           215 
      1   0.244336D+01 -0.144493D+01 -0.341017D+00 -0.568737D+00 -0.115419D+00
      2  -0.144493D+01  0.202218D+01  0.187096D+00 -0.115419D+00 -0.155502D+00
      3  -0.341017D+00  0.187096D+00 -0.106739D+01 -0.240352D+00  0.335568D+00
               216           217           218           219           220 
      1  -0.240352D+00  0.431380D+01 -0.133926D+01 -0.553825D+00 -0.332006D+01
      2   0.335568D+00 -0.133926D+01 -0.275316D+01  0.467097D+00 -0.134591D+00
      3   0.144633D-01 -0.553825D+00  0.467097D+00 -0.230845D+01  0.759155D+00
               221           222           223           224           225 
      1  -0.134591D+00  0.759155D+00 -0.314043D+00  0.493980D+00  0.526231D+00
      2  -0.947507D+00 -0.235817D+00  0.493980D+00  0.176520D-01  0.420265D+01
      3  -0.235817D+00  0.587434D+01  0.526231D+00  0.420265D+01  0.439996D+00
               226           227           228           229           230 
      1   0.815300D+00  0.131898D+01 -0.476287D-01  0.412897D+00  0.834765D+00
      2   0.131898D+01  0.241409D+01 -0.485963D-01  0.834765D+00  0.106169D+02
      3  -0.476287D-01 -0.485963D-01  0.158695D+00  0.605925D-01  0.897826D-01
               231           232           233           234           235 
      1   0.605925D-01 -0.842587D-01 -0.626256D-01 -0.233031D+00 -0.714079D+01
      2   0.897826D-01 -0.626256D-01  0.269929D-01  0.289714D+00  0.455467D+01
      3   0.897263D+00 -0.233031D+00  0.289714D+00  0.498188D-01  0.637110D+00
               236           237           238           239           240 
      1   0.455467D+01  0.637110D+00  0.504715D+01 -0.511121D+01 -0.450175D+00
      2  -0.397676D+01 -0.402086D+00 -0.511121D+01  0.590523D+01  0.496814D+00
      3  -0.402086D+00 -0.693881D+00 -0.450175D+00  0.496814D+00  0.775034D+00
               241           242           243           244           245 
      1   0.800875D+00 -0.487138D+00  0.235329D+00 -0.129392D+01 -0.214264D+01
      2  -0.487138D+00  0.452173D+00  0.304703D+00 -0.214264D+01 -0.117857D+01
      3   0.235329D+00  0.304703D+00  0.657220D-01  0.307452D-01  0.142270D+00
               246           247           248           249           250 
      1   0.307452D-01 -0.329124D+01 -0.316550D+01  0.122376D+00 -0.176979D-02
      2   0.142270D+00 -0.316550D+01 -0.677110D+01  0.847442D-01  0.112352D+00
      3  -0.815103D-01  0.122376D+00  0.847442D-01 -0.613761D+00 -0.938570D-01
               251           252           253           254           255 
      1   0.112352D+00 -0.938570D-01 -0.501849D-01  0.198008D+00 -0.731962D+00
      2  -0.605404D-01  0.605012D-01  0.198008D+00  0.383563D+00  0.439274D-03
      3   0.605012D-01 -0.459738D-02 -0.731962D+00  0.439274D-03  0.966824D+00
               256           257           258           259           260 
      1  -0.706309D+00 -0.146435D+01 -0.989488D+00 -0.321301D+01 -0.185688D+01
      2  -0.146435D+01 -0.269466D+01 -0.193057D+01 -0.185688D+01 -0.239526D+01
      3  -0.989488D+00 -0.193057D+01 -0.243439D+01 -0.178327D+01 -0.265972D+01
               261           262           263           264           265 
      1  -0.178327D+01 -0.160165D+02 -0.134729D+01  0.108497D+01  0.100019D+01
      2  -0.265972D+01 -0.134729D+01 -0.111041D+01  0.644836D-01 -0.114946D+01
      3  -0.495579D+01  0.108497D+01  0.644836D-01 -0.116607D+01 -0.105254D+00
               266           267           268           269           270 
      1  -0.114946D+01 -0.105254D+00  0.111478D+01  0.666460D-01 -0.155671D+01
      2   0.192703D+00  0.122367D+00  0.666460D-01  0.126947D+00 -0.485686D+00
      3   0.122367D+00 -0.124763D+00 -0.155671D+01 -0.485686D+00  0.313684D+00
               271           272           273           274           275 
      1   0.793161D+00  0.474563D+00  0.603533D+00 -0.473210D+00 -0.118488D+01
      2   0.474563D+00  0.850344D+00 -0.559874D+00 -0.118488D+01 -0.297231D+01
      3   0.603533D+00 -0.559874D+00  0.156491D+01  0.684397D+00  0.224162D+01
               276           277           278           279 
      1   0.684397D+00  0.254834D+01  0.131136D+01 -0.142077D+01
      2   0.224162D+01  0.131136D+01  0.240661D+01 -0.289984D+01
      3  -0.269924D+01 -0.142077D+01 -0.289984D+01  0.487396D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.235016D+01  0.276277D+01 -0.620244D+00  0.515765D+01 -0.303718D+01
      2   0.632990D+01 -0.225145D+00 -0.141708D+01  0.104250D+02 -0.141565D+01
      3   0.335652D+02  0.251837D+02 -0.174017D+01  0.509500D+02 -0.155600D+02
                 6             7             8             9            10 
      1  -0.590631D+00 -0.400488D+01  0.679726D+01  0.256596D+00 -0.969267D+00
      2   0.143737D+01 -0.188885D+02  0.241791D+01  0.153094D+01 -0.110769D+02
      3  -0.377225D+01 -0.207454D+00 -0.320352D+01  0.202595D+01 -0.171327D+02
                11            12            13            14            15 
      1   0.411978D+01  0.322152D+00  0.234574D+01 -0.594935D+00  0.105571D+01
      2   0.317814D+00 -0.536108D+01 -0.111655D+02  0.161412D+01  0.941423D-02
      3   0.319981D+02  0.150554D+01  0.365831D+02 -0.217382D+02 -0.346347D+01
                16            17            18            19            20 
      1  -0.308702D+01  0.774821D+01  0.594384D+00 -0.357281D+01 -0.524656D+00
      2  -0.196922D+02  0.160832D+01  0.203798D+01 -0.119707D+02  0.213641D+01
      3   0.220455D+01 -0.385012D+01 -0.147387D+01 -0.425521D+02 -0.178924D+02
                21            22            23            24            25 
      1   0.110477D+01 -0.376048D+00 -0.127476D+01 -0.325283D+01 -0.530364D+01
      2   0.316632D+00  0.544271D+01 -0.106760D+01  0.204164D+01 -0.167507D+02
      3   0.240570D+01  0.156210D+02 -0.236072D+01 -0.422671D+00  0.250878D+01
                26            27            28            29            30 
      1   0.516335D+00 -0.131786D+01  0.925576D-01  0.838227D+00 -0.271486D+00
      2   0.668982D+01  0.131522D+01  0.133147D+02 -0.139387D+01  0.133767D+01
      3   0.192752D+01 -0.323469D+01  0.169971D+02  0.297529D+01 -0.818950D+00
                31            32            33            34            35 
      1   0.464640D+01  0.244476D+01  0.266375D+01 -0.186028D+01  0.125746D+02
      2  -0.702616D+00  0.417007D+00 -0.157170D+01 -0.138158D+02  0.977654D+00
      3   0.193603D+02  0.815806D+00 -0.223033D+00  0.936013D+00 -0.121046D+01
                36            37            38            39            40 
      1   0.910309D+00 -0.494752D+00 -0.196196D+01  0.503290D+01 -0.106266D+01
      2   0.159714D+01  0.137253D+01 -0.273294D+00  0.194991D+01 -0.293718D+01
      3   0.343515D+01 -0.214790D+02 -0.296908D+01  0.541364D+00 -0.438831D+01
                41            42            43            44            45 
      1  -0.184909D+01 -0.749461D+00  0.137589D+02  0.630141D+01 -0.900139D+00
      2   0.533572D+00 -0.127242D+01 -0.108268D+02 -0.557346D+01  0.120971D+01
      3  -0.580898D+01 -0.813595D+00 -0.479161D+00 -0.133483D+01 -0.424375D+01
                46            47            48            49            50 
      1   0.159411D+01 -0.839773D+00 -0.478532D+01 -0.115986D+01  0.156613D+01
      2  -0.413038D+01  0.351944D+00  0.121279D+01 -0.161667D-01  0.267765D+00
      3   0.387320D+02 -0.271558D+02 -0.234614D+01 -0.832269D+01  0.191737D+02
                51            52            53            54            55 
      1  -0.337177D+01 -0.788902D+01 -0.154403D+01  0.224167D+01  0.170472D+01
      2  -0.948385D+00 -0.166678D+02 -0.561203D+00  0.776270D+00 -0.145089D+00
      3   0.143681D+01 -0.322273D+01  0.286148D+01  0.522215D+01  0.267432D+02
                56            57            58            59            60 
      1  -0.312114D+01 -0.685209D+01  0.468791D-01  0.174600D+01 -0.391937D+01
      2  -0.104170D+01 -0.605013D+01  0.100783D+00 -0.341291D+00 -0.437337D+01
      3  -0.125305D+02 -0.807218D+00  0.418766D+00  0.179589D+02  0.314849D+00
                61            62            63            64            65 
      1  -0.730220D+01 -0.268893D+01  0.140181D+01 -0.477566D+00  0.878726D-01
      2  -0.211942D+02 -0.625165D+01  0.205564D+01  0.805275D-01  0.434657D+00
      3  -0.108927D+01  0.152544D+01  0.119308D+02  0.434871D+00  0.677313D+00
                66            67            68            69            70 
      1  -0.120467D+01 -0.558819D+00 -0.164160D+01 -0.401221D+01 -0.144617D+00
      2   0.428455D+00  0.583647D+00  0.550156D+00  0.148042D+01 -0.195769D+01
      3   0.738539D-01  0.492334D+01 -0.483453D+01 -0.176665D-01  0.139672D+00
                71            72            73            74            75 
      1   0.200222D+01  0.188611D+00 -0.630006D+00 -0.581421D+00  0.272608D+01
      2  -0.831724D+00 -0.144010D-01  0.206173D+01 -0.101352D+01  0.174934D+01
      3  -0.341940D+00  0.558722D+00 -0.956452D+01  0.123439D+00  0.898997D+00
                76            77            78            79            80 
      1  -0.994165D+00  0.126500D+01 -0.278352D+01 -0.171510D+01  0.140631D+01
      2  -0.121021D+01  0.105782D+01 -0.234716D+01 -0.273778D+01  0.689385D-01
      3   0.193942D+01  0.241178D+01  0.118934D+00  0.183052D+01  0.128412D+00
                81            82            83            84            85 
      1   0.196877D-02  0.819012D+00  0.932035D+00 -0.123621D+01  0.396596D+00
      2   0.113019D-01 -0.348006D+00 -0.366303D+00  0.655680D+00 -0.225502D+00
      3   0.283354D+00  0.532734D+01  0.237666D+01 -0.283628D+00  0.542412D+01
                86            87            88            89            90 
      1   0.278290D+01 -0.446020D+01  0.118374D+01  0.199136D+01 -0.321905D-01
      2  -0.499789D+00  0.985235D+00 -0.747359D+00  0.947566D+00  0.517774D-01
      3   0.357985D+01  0.613816D-01 -0.527867D+00 -0.264692D+00 -0.972127D+00
                91            92            93            94            95 
      1  -0.268269D+01  0.839231D+00  0.882168D+00  0.239793D+01  0.228663D+01
      2  -0.105164D+02  0.130729D+01 -0.874545D+01 -0.165009D+00 -0.125191D+01
      3  -0.112921D+02 -0.298047D+01 -0.166171D+00  0.117984D+02  0.231416D+02
                96            97            98            99           100 
      1  -0.279203D+01  0.296079D+01  0.370202D+01 -0.120180D+01  0.459796D+01
      2   0.433779D+01 -0.355806D+02  0.519833D+01 -0.356528D+01 -0.127402D+02
      3  -0.568355D+00  0.520200D+00  0.873209D+00 -0.898158D+01  0.147824D+02
               101           102           103           104           105 
      1  -0.224944D+01  0.618917D+00  0.412746D+00 -0.112252D+02 -0.677314D+01
      2  -0.470035D+01  0.220390D+02 -0.318834D+01  0.607447D+01 -0.117587D+02
      3  -0.554692D+01 -0.623944D+00 -0.305518D+00 -0.236423D+02 -0.604960D+01
               106           107           108           109           110 
      1  -0.120008D+01 -0.958231D+00  0.733378D+01  0.484436D+01 -0.186923D+01
      2   0.156208D+02 -0.962468D+01  0.844165D+01  0.158659D+02 -0.237512D+01
      3  -0.366209D+01 -0.493790D+01  0.114105D+02  0.124638D+01  0.119679D+02
               111           112           113           114           115 
      1  -0.810075D+01 -0.112092D+02  0.310859D+01 -0.143079D+02 -0.675921D+01
      2   0.541786D+01 -0.537094D+00  0.194690D+01  0.551207D+01  0.107281D+02
      3   0.272005D+01  0.166351D+02 -0.140637D+02  0.117225D+01  0.491811D+01
               116           117           118           119           120 
      1  -0.423312D+01 -0.245979D+01 -0.708887D+00 -0.723584D+00 -0.329612D+00
      2   0.151949D+01  0.299633D+01 -0.806578D-01  0.472805D+00  0.349198D+01
      3  -0.101606D+01  0.430747D+01 -0.742233D+01 -0.275236D+01  0.172133D+00
               121           122           123           124           125 
      1  -0.900941D+00 -0.387114D+01 -0.264284D+01 -0.216736D+00  0.240444D+00
      2   0.108034D+01  0.807374D+00  0.438691D+01  0.250754D+01  0.264364D+01
      3  -0.177976D+01 -0.245867D+02  0.590235D+00  0.718204D+00 -0.488339D-01
               126           127           128           129           130 
      1   0.216800D-01 -0.227821D+01 -0.318810D+01 -0.120240D+00 -0.304815D+01
      2  -0.282910D+00  0.126586D+02  0.196041D+01  0.600708D+01  0.169645D+01
      3  -0.229601D+01 -0.568394D+01 -0.779233D+01  0.653851D+00 -0.547769D+01
               131           132           133           134           135 
      1  -0.558691D-01 -0.539469D-01  0.658122D+00  0.896715D+00 -0.103685D+01
      2   0.528459D+00  0.294153D+01  0.215310D+01  0.130225D+01  0.464878D-01
      3  -0.501399D+00  0.192377D+01  0.637638D+00  0.159384D+01 -0.188037D+01
               136           137           138           139           140 
      1  -0.188173D+01  0.273562D+01 -0.899341D+00  0.101837D+01 -0.211937D+01
      2  -0.745182D+01  0.345449D+01 -0.131287D+02  0.253327D+01 -0.672845D+01
      3  -0.312539D+01  0.240786D+01 -0.188267D+01  0.211074D+01 -0.254428D+01
               141           142           143           144           145 
      1   0.217303D+01 -0.119101D+00  0.488155D+01 -0.372527D+01  0.277784D+01
      2   0.109097D+02 -0.659209D+01  0.715891D+01 -0.285953D+02 -0.242860D-01
      3   0.608003D+01  0.184344D-01  0.456508D+01 -0.659541D+01  0.516843D+01
               146           147           148           149           150 
      1   0.351854D+00 -0.521093D+00 -0.200797D+00  0.145357D+02  0.428708D+00
      2  -0.125059D+01 -0.178754D+01 -0.985159D+00 -0.561893D+01 -0.607441D+01
      3   0.464821D+00 -0.700968D+00  0.150841D+01  0.273813D+02  0.616783D+01
               151           152           153           154           155 
      1  -0.792919D+00  0.236258D+01  0.146909D+01 -0.429796D+01  0.253512D+01
      2  -0.141402D+01 -0.254334D+01 -0.302276D+01 -0.964183D+01  0.178302D+01
      3  -0.215672D+01  0.266787D+01  0.354110D+01  0.122168D+02 -0.210975D+02
               156           157           158           159           160 
      1   0.416687D+01  0.787907D+01 -0.387186D+01 -0.508892D+00  0.188653D+01
      2   0.200955D+02 -0.222271D+01 -0.203174D+01 -0.866414D+01  0.765086D+01
      3  -0.219793D+00 -0.175962D+02  0.178583D+02 -0.154110D+01  0.354434D+00
               161           162           163           164           165 
      1   0.300010D+01 -0.720240D+00 -0.582481D+01  0.190103D+01  0.106463D+01
      2  -0.387251D+01 -0.238747D+01 -0.883775D+01  0.385407D+01  0.510472D+00
      3  -0.837724D+00  0.362277D+01  0.856505D+01 -0.431867D+01  0.259198D+00
               166           167           168           169           170 
      1   0.526587D+01 -0.271722D+00  0.461935D+01 -0.179933D+01  0.853906D+01
      2   0.559048D+01  0.535889D+01 -0.253217D+01 -0.691687D+01  0.902766D+00
      3  -0.162993D+01 -0.370132D-01 -0.728851D+01 -0.384358D+00 -0.203023D+01
               171           172           173           174           175 
      1  -0.670548D+00  0.649096D+01 -0.216341D+01  0.135563D+01 -0.567125D+01
      2   0.250013D+02  0.199048D+02 -0.334338D+01 -0.507800D+01 -0.530539D+01
      3  -0.109193D+01 -0.761078D+01  0.235599D+01 -0.945758D+00  0.640001D+01
               176           177           178           179           180 
      1   0.633041D+00 -0.237754D+01  0.191914D+01 -0.573471D+00  0.952257D+00
      2   0.302917D+01  0.225318D+01 -0.734870D+00  0.401694D+00  0.283414D+01
      3  -0.113030D+01 -0.775343D+00 -0.338035D+01  0.329843D+00 -0.161234D+01
               181           182           183           184           185 
      1   0.271393D-01  0.147898D+01  0.722504D+01 -0.776673D+00 -0.878900D+00
      2  -0.121997D+01 -0.330223D+00  0.896145D+01  0.854097D+00  0.128194D+01
      3  -0.216575D+02 -0.118201D+02  0.958994D+00 -0.185132D+01 -0.249818D+02
               186           187           188           189           190 
      1  -0.127738D+01  0.156264D+02  0.641111D+01 -0.245940D+01 -0.178334D+01
      2  -0.339759D+01  0.168723D+01 -0.106121D+02 -0.241270D+01 -0.799594D+01
      3  -0.469847D+00  0.449751D+00 -0.624993D+00 -0.158405D+01 -0.248693D+02
               191           192           193           194           195 
      1   0.397356D+01  0.515183D+00  0.407280D+01 -0.121919D+01  0.497647D+01
      2  -0.331830D+00  0.465577D+01  0.249952D+01 -0.123147D+01 -0.870712D+00
      3   0.155664D+02  0.235196D+01  0.451064D+02  0.231034D+02 -0.347344D+01
               196           197           198           199           200 
      1  -0.220263D+01  0.128318D+02  0.528728D+00  0.357688D+00 -0.300769D+01
      2   0.340975D+01 -0.216860D+01 -0.200120D+01  0.833613D+01  0.170604D+00
      3   0.278992D+01 -0.168555D+01  0.910046D-02  0.770548D+01 -0.197166D+02
               201           202           203           204           205 
      1   0.310937D+00 -0.103572D+01  0.955039D+00 -0.401579D+01 -0.126008D+01
      2   0.176808D+01 -0.267533D+01 -0.391589D+00  0.714711D+01 -0.212253D+02
      3  -0.149971D+01 -0.128354D+02 -0.133521D+01  0.177350D+01 -0.166574D+01
               206           207           208           209           210 
      1   0.285535D+01  0.327840D+00  0.146244D+01 -0.349325D+01 -0.979186D+00
      2   0.121919D+02  0.189954D+01  0.169123D+01  0.518494D+00  0.847938D+01
      3   0.178677D+01 -0.657230D+01  0.210864D+02 -0.347481D+02 -0.218294D+01
               211           212           213           214           215 
      1  -0.153485D+00  0.235412D+00 -0.758614D+01  0.355658D+01  0.222937D+00
      2   0.130685D+01 -0.528713D+00  0.857707D+01 -0.487131D+01 -0.399845D+01
      3   0.322932D+01  0.591963D+01  0.493150D+00 -0.174586D+01  0.301549D+01
               216           217           218           219           220 
      1  -0.334033D+00 -0.189095D+01  0.546765D+00 -0.364927D+01  0.307952D+00
      2  -0.376872D+00  0.257907D+01 -0.234197D+01  0.128715D+02 -0.351205D+01
      3   0.134410D+01 -0.303277D+02 -0.130771D+02  0.554319D+01 -0.497151D+01
               221           222           223           224           225 
      1   0.951237D+00  0.102051D+02  0.870529D+01  0.112204D+02  0.183131D+01
      2   0.100635D+01 -0.344480D+02 -0.239688D+01 -0.233073D+02 -0.268784D+01
      3   0.144435D+02 -0.138979D+01  0.457204D+01 -0.981988D+00  0.308050D+02
               226           227           228           229           230 
      1   0.300790D+00  0.262846D+00 -0.139732D+01 -0.139082D+00 -0.232491D+00
      2   0.297005D-01  0.107587D+00  0.284489D+00 -0.127337D+00 -0.339280D+00
      3   0.741638D+01  0.666716D+01 -0.389278D+00  0.554926D+01  0.224830D+02
               231           232           233           234           235 
      1  -0.490326D+01  0.940947D+00  0.194196D+01 -0.121322D+00 -0.969234D+00
      2  -0.643566D+00  0.111007D+00  0.291134D-01 -0.103805D+00 -0.154095D+01
      3   0.333390D+00 -0.613455D+00 -0.248531D+00 -0.350944D+00 -0.343220D+00
               236           237           238           239           240 
      1   0.276713D+00  0.263253D+01  0.349973D+00 -0.172273D+00 -0.311940D+01
      2   0.992485D+00  0.378627D+01  0.102866D+01 -0.127841D+01 -0.400127D+01
      3  -0.669154D+01 -0.114822D+00 -0.666124D+01  0.121870D+02  0.890291D+00
               241           242           243           244           245 
      1  -0.263043D+01  0.975332D+00  0.139883D-01  0.227304D+00  0.308603D+00
      2  -0.302226D+01 -0.121233D+01 -0.193702D+00 -0.322839D+00 -0.540488D+00
      3   0.205159D+00  0.671733D+00  0.145697D+01 -0.202992D+01 -0.147759D+01
               246           247           248           249           250 
      1  -0.610072D+00  0.476977D+00  0.199735D+00 -0.314337D+01 -0.445909D+00
      2   0.352523D+00 -0.518137D+00 -0.304169D+00  0.192325D+01 -0.156705D+01
      3   0.172224D+00 -0.511356D-01 -0.164402D+02 -0.144005D+00  0.208121D+00
               251           252           253           254           255 
      1   0.165277D+01  0.430466D-01 -0.841913D+00  0.133838D+00  0.213205D+01
      2  -0.131941D+01  0.458730D-01  0.572509D+01  0.400027D+00 -0.465613D+01
      3  -0.423965D+00  0.515499D+00 -0.104617D+01  0.430628D+01  0.185311D+01
               256           257           258           259           260 
      1  -0.102738D+01 -0.281917D+01 -0.537533D+01 -0.311653D+01 -0.258697D+01
      2   0.477985D+01  0.101979D+02  0.136285D+02  0.519893D+01  0.144973D+02
      3  -0.446183D+01 -0.178674D+02 -0.117254D+02 -0.554248D+01 -0.149284D+02
               261           262           263           264           265 
      1  -0.969699D+01  0.111814D+01 -0.477504D+00 -0.155739D+01 -0.310376D+00
      2   0.267272D+02 -0.248757D+01 -0.537937D-01  0.887665D+01  0.406352D+00
      3  -0.180600D+02  0.117625D+02 -0.843083D+01 -0.109353D+01 -0.568265D+01
               266           267           268           269           270 
      1   0.215072D+00 -0.932568D+00 -0.199311D+01 -0.276520D+00  0.211173D+00
      2  -0.428890D+00  0.796624D+00  0.693921D+01  0.251481D+01 -0.152934D+01
      3   0.248201D+01  0.758611D+00 -0.116746D+01  0.102403D+01 -0.194882D+01
               271           272           273           274           275 
      1   0.538945D+00  0.116301D+00  0.304444D+01  0.330724D+00  0.118644D+01
      2  -0.589966D+01  0.234253D+01 -0.771604D+01 -0.283433D+01 -0.112140D+02
      3  -0.122367D+01  0.718459D+01 -0.531740D+01 -0.271217D+01 -0.198799D+02
               276           277           278           279 
      1  -0.448104D+01 -0.174289D+01 -0.146801D+01  0.737113D+01
      2   0.145357D+02  0.276317D+01  0.151791D+02 -0.249388D+02
      3   0.135570D+02  0.283345D+01  0.149990D+02 -0.195705D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.703437D+02  0.270488D+02  0.412627D+01 -0.882313D+02 -0.289504D+01
      2   0.345059D+02 -0.186096D+02 -0.275481D+01  0.352322D+02  0.152739D+02
      3   0.358378D+02 -0.843923D+01 -0.137146D+01  0.529991D+02 -0.123788D+02
      4  -0.346400D+01  0.213015D+02  0.984600D+00  0.122809D+02 -0.254444D+02
      5  -0.404232D+00 -0.161195D+01 -0.374431D+01 -0.415936D+01  0.185282D+01
      6   0.405740D+00 -0.155100D+01  0.160440D+01  0.218941D+01 -0.165491D+01
                 6             7             8             9            10 
      1   0.712184D+01  0.414089D+01 -0.188875D+01 -0.100873D+02  0.708619D+02
      2  -0.251425D+01 -0.253328D+01  0.218619D+01 -0.208846D+00 -0.189258D+02
      3  -0.460759D+01 -0.160761D+01 -0.297442D+00  0.102962D+02 -0.519361D+02
      4  -0.146140D+01  0.300112D+00 -0.194379D+01 -0.187372D+01  0.378742D+02
      5   0.440743D+01  0.112293D+01 -0.948117D+00  0.170790D+01  0.116805D+01
      6  -0.629126D+00  0.303562D+01  0.513583D+01 -0.935413D+00 -0.296575D+01
                11            12            13            14            15 
      1   0.236905D+02 -0.648931D+01  0.972930D+02 -0.237167D+02 -0.746125D+01
      2  -0.186874D+02  0.780549D+00 -0.374114D+02  0.157583D+02  0.341929D+01
      3  -0.500308D+01  0.570876D+01 -0.598816D+02  0.795844D+01  0.404196D+01
      4   0.160734D+02 -0.157462D+01 -0.287916D+02  0.193649D+02  0.200605D+01
      5  -0.152994D+01 -0.128068D+02  0.290164D+01 -0.473351D+00 -0.191853D+01
      6   0.826931D-01  0.437681D+00 -0.970301D+00  0.211480D+01 -0.270201D+01
                16            17            18            19            20 
      1  -0.425882D+01 -0.204187D+01 -0.601543D+01  0.457382D+02 -0.332498D+02
      2   0.177433D-01  0.142827D+01 -0.269419D+01 -0.172463D+02  0.204426D+02
      3   0.424108D+01  0.613605D+00  0.870962D+01 -0.284920D+02  0.128072D+02
      4  -0.324943D+01 -0.740537D+00  0.441499D+01 -0.799377D+01 -0.267959D+02
      5   0.161316D+01  0.265438D+01  0.289393D+01  0.375731D+01  0.173333D+01
      6   0.216823D+01  0.391514D+01 -0.296351D+00 -0.768413D+00  0.534446D+01
                21            22            23            24            25 
      1  -0.676012D+01  0.125796D+02  0.188374D+02  0.274968D+01 -0.434140D+01
      2   0.296948D+01 -0.233861D+02 -0.242346D+02  0.365554D+00  0.835348D+00
      3   0.379064D+01  0.108065D+02  0.539715D+01 -0.311523D+01  0.350605D+01
      4   0.437336D+00  0.100433D+02 -0.100996D+01 -0.353537D+00  0.234761D+01
      5  -0.212252D+01 -0.261647D+01  0.102447D+00  0.751378D+01  0.102866D+02
      6  -0.808753D+00  0.567022D+00 -0.214759D+01  0.670589D+01  0.272827D+01
                26            27            28            29            30 
      1   0.783668D+01 -0.117138D+02  0.101812D+02 -0.469971D+01  0.304548D+01
      2  -0.307782D+01 -0.208326D+00 -0.281432D+02  0.407580D+01 -0.578966D-02
      3  -0.475886D+01  0.119221D+02  0.179620D+02  0.623907D+00 -0.303969D+01
      4   0.214388D+01  0.650685D+01 -0.617454D+00  0.142594D+02  0.231736D+00
      5   0.840824D+01  0.224151D+01 -0.910194D+01  0.198671D+01  0.930930D+01
      6   0.132076D+02 -0.232370D+01  0.134050D+01 -0.231041D+01  0.219511D+01
                31            32            33            34            35 
      1   0.401182D+02 -0.499264D+02 -0.217584D+01  0.524050D+01 -0.229159D+01
      2  -0.290653D+02  0.439286D+02  0.206869D+01 -0.903177D-01  0.133217D+01
      3  -0.110529D+02  0.599779D+01  0.107146D+00 -0.515018D+01  0.959418D+00
      4  -0.312492D+02 -0.185068D+02  0.706528D+00 -0.242120D+01 -0.107145D+01
      5  -0.159832D+01  0.204871D+01 -0.250289D+01  0.296973D+02 -0.383794D+01
      6   0.115951D+01  0.528272D+01 -0.471060D+01  0.399748D+01  0.304277D+01
                36            37            38            39            40 
      1   0.248912D+00 -0.201762D+02  0.541891D+02  0.473008D+01 -0.392851D+02
      2  -0.110108D+02  0.101806D+02 -0.370425D+02 -0.101831D+01  0.392695D+02
      3   0.107619D+02  0.999552D+01 -0.171466D+02 -0.371177D+01  0.156037D-01
      4  -0.685971D+00  0.278206D+02  0.686734D+01 -0.285185D+01  0.176326D+02
      5  -0.149389D+01  0.945031D+00 -0.489545D+01  0.468851D+01  0.323713D+01
      6  -0.972608D+00 -0.394070D+01 -0.433883D+01 -0.961757D+01 -0.127478D+01
                41            42            43            44            45 
      1   0.284717D+02  0.141069D+01  0.320649D+01 -0.598421D+01 -0.116357D+02
      2  -0.267978D+02 -0.292880D+01  0.250180D+01  0.156974D+01 -0.171566D+01
      3  -0.167387D+01  0.151811D+01 -0.570829D+01  0.441447D+01  0.133513D+02
      4   0.258400D+02  0.683307D-01 -0.394774D+01  0.123807D+01 -0.608446D+01
      5  -0.135879D+01 -0.700935D+01  0.144928D+02 -0.643615D+01 -0.227498D+01
      6  -0.399011D+01  0.222069D+01 -0.170031D+02  0.871311D+01  0.453334D+01
                46            47            48            49            50 
      1   0.297427D+02 -0.457585D+02 -0.661967D+01  0.849734D+01  0.108042D+02
      2  -0.217963D+02  0.304122D+02  0.210543D+01 -0.744214D+01 -0.197236D+02
      3  -0.794647D+01  0.153463D+02  0.451424D+01 -0.105520D+01  0.891933D+01
      4  -0.331279D+02 -0.163915D+02  0.229043D+01  0.194474D+02 -0.755496D+01
      5   0.248558D+01  0.262942D+01  0.899337D+00  0.477820D+00 -0.727584D+00
      6   0.252009D+01  0.622869D+01  0.783689D+01 -0.119212D+01 -0.517949D+00
                51            52            53            54            55 
      1  -0.601922D+00 -0.448244D+01  0.310272D+01 -0.197670D+02 -0.206102D+02
      2  -0.956228D+00  0.238100D+01 -0.511611D+01  0.755745D+01  0.304137D+01
      3   0.155815D+01  0.210144D+01  0.201339D+01  0.122096D+02  0.175688D+02
      4  -0.987915D+00  0.352699D+01  0.317727D+01  0.125737D+01  0.169805D+02
      5  -0.763204D-01  0.405690D+01  0.577903D-01  0.241624D+01 -0.367781D+01
      6   0.835956D+01  0.409281D+01  0.194157D+02  0.155566D+01  0.148171D+01
                56            57            58            59            60 
      1  -0.372761D+02 -0.230679D+01  0.111656D+01  0.183606D+02  0.339786D+00
      2   0.324554D+02  0.153008D+01 -0.346372D+01 -0.240265D+02 -0.313835D+00
      3   0.482066D+01  0.776708D+00  0.234716D+01  0.566592D+01 -0.259509D-01
      4  -0.591930D+02 -0.214614D+01  0.150692D+02 -0.620336D+01  0.706395D-02
      5   0.202021D+01 -0.106972D+02  0.479145D+00 -0.341360D+00 -0.664133D+01
      6   0.301647D+01  0.123258D+02 -0.352949D+00 -0.626937D+00  0.992225D+01
                61            62            63            64            65 
      1  -0.309486D+00  0.325046D+01 -0.267615D+02 -0.140572D+01 -0.377534D+01
      2   0.892873D+00 -0.371431D+01  0.131782D+02  0.558769D+01  0.621923D+01
      3  -0.583387D+00  0.463850D+00  0.135833D+02 -0.418197D+01 -0.244389D+01
      4  -0.173466D+01  0.760430D+01 -0.105849D+02  0.842661D+01  0.118048D+02
      5  -0.214648D+01 -0.148638D+02  0.369151D+01 -0.692354D+00 -0.688226D+00
      6   0.408474D+01  0.233441D+02 -0.198321D+01 -0.125404D+01 -0.139657D+01
                66            67            68            69            70 
      1   0.154934D+00 -0.812629D+01 -0.300671D+02  0.114574D+01 -0.809364D+00
      2  -0.676596D-01  0.122918D+02  0.396779D+02 -0.763421D+00  0.503581D+00
      3  -0.872746D-01 -0.416554D+01 -0.961083D+01 -0.382322D+00  0.305783D+00
      4  -0.425504D+00  0.128316D+02  0.217997D+02 -0.444827D+00 -0.350909D+00
      5   0.151488D+01 -0.474333D+00  0.322343D+00  0.241942D+01  0.688243D-01
      6   0.154555D+01 -0.162814D+01 -0.471342D+01  0.618065D+01  0.165485D+01
                71            72            73            74            75 
      1  -0.223786D+00 -0.310058D+01  0.760578D+01  0.155934D+01 -0.158447D+00
      2   0.141062D+00  0.354186D+01  0.866195D+00 -0.776940D+01  0.290938D+00
      3   0.827246D-01 -0.441279D+00 -0.847197D+01  0.621007D+01 -0.132492D+00
      4  -0.460901D+00  0.993157D+00 -0.221025D+02  0.179824D+02  0.152335D+01
      5   0.213345D+00 -0.315275D+00 -0.516999D+01  0.197666D+01  0.461709D+01
      6   0.285268D+01 -0.287717D+00  0.278127D+01 -0.237572D+01 -0.266434D+01
                76            77            78            79            80 
      1   0.494460D+01 -0.123689D+02 -0.153319D+01 -0.915573D+00 -0.645457D+00
      2  -0.130912D+02  0.217412D+02  0.121396D+01  0.721906D-01  0.713388D+00
      3   0.814664D+01 -0.937231D+01  0.319229D+00  0.843382D+00 -0.679316D-01
      4   0.232276D+02 -0.252404D+02 -0.205291D+01  0.171307D+01 -0.134987D+01
      5   0.267677D+01 -0.243246D+01 -0.350320D+01  0.919819D+00 -0.161847D+01
      6  -0.371651D+01  0.462043D+01  0.485647D+01  0.501164D+00  0.239772D+01
                81            82            83            84            85 
      1   0.108458D+00 -0.380398D+01 -0.792572D+01  0.264809D+00 -0.613068D+01
      2   0.851515D+00  0.656809D+01  0.114549D+02 -0.201998D+00  0.781032D+01
      3  -0.959973D+00 -0.276410D+01 -0.352920D+01 -0.628116D-01 -0.167964D+01
      4  -0.256740D+01  0.478691D+01  0.121687D+02  0.233437D+00  0.768695D+01
      5  -0.573206D+00  0.828243D+00  0.125884D+01  0.180309D+01  0.775732D+00
      6   0.581880D+00  0.620445D+00  0.427668D+00  0.165377D+01  0.838449D+00
                86            87            88            89            90 
      1  -0.458641D+02 -0.861047D+00  0.620300D+00  0.110779D+00 -0.184397D+01
      2   0.607751D+02  0.455548D+00 -0.449653D+00 -0.620188D-01  0.238955D+01
      3  -0.149110D+02  0.405499D+00 -0.170647D+00 -0.487605D-01 -0.545582D+00
      4   0.144441D+02  0.355788D+00 -0.171183D+00 -0.659812D+00  0.211606D+01
      5   0.291037D+01  0.105346D+01  0.941603D+00  0.165159D+01  0.139526D-02
      6   0.454469D+01  0.709522D+01 -0.157824D+00  0.320419D+01 -0.388156D-01
                91            92            93            94            95 
      1  -0.772831D+01  0.786614D+01 -0.103712D+02  0.115866D+02  0.864256D+01
      2   0.166274D+02 -0.812821D+01 -0.820440D+00 -0.143536D+02 -0.174611D+02
      3  -0.889904D+01  0.262077D+00  0.111916D+02  0.276696D+01  0.881850D+01
      4   0.950890D+01 -0.283766D+01 -0.471032D+00 -0.624033D+01 -0.430198D+02
      5  -0.836940D+00 -0.195893D+01 -0.260447D+02 -0.119195D+02 -0.622773D+00
      6  -0.252468D+01  0.229052D+01  0.597321D+00  0.128892D+00  0.602758D+01
                96            97            98            99           100 
      1  -0.479420D+01 -0.327981D+01 -0.291004D+00 -0.265710D+02 -0.701481D+02
      2   0.809937D+01 -0.632260D+01  0.511660D+00  0.216084D+02  0.374414D+02
      3  -0.330516D+01  0.960241D+01 -0.220656D+00  0.496266D+01  0.327067D+02
      4  -0.889044D+00 -0.273756D+01 -0.167957D+01  0.907661D+01 -0.248746D+02
      5   0.958606D+01 -0.601027D+02  0.102971D+02  0.530486D+01  0.336127D+02
      6   0.151463D+01  0.144664D+01  0.807203D+00 -0.342251D+01  0.113737D+02
               101           102           103           104           105 
      1  -0.190980D+02  0.300987D+02 -0.304462D+02  0.114104D+02 -0.628143D+01
      2   0.777578D+01 -0.146801D+01  0.212993D+02 -0.767288D+01 -0.107328D+02
      3   0.113222D+02 -0.286307D+02  0.914689D+01 -0.373748D+01  0.170142D+02
      4   0.499754D+01  0.593186D-01  0.261210D+01  0.387851D+02  0.102349D+02
      5   0.474384D+01  0.197228D+02  0.160547D+02  0.675566D+01 -0.190351D+02
      6  -0.331984D+01  0.206634D+01 -0.160165D+01 -0.187288D+02 -0.655872D+01
               106           107           108           109           110 
      1   0.356191D+01 -0.784771D+01  0.357177D+02 -0.859023D+02  0.180755D+02
      2   0.162824D+02 -0.544369D+01 -0.152659D+02  0.353507D+02 -0.202032D+01
      3  -0.198443D+02  0.132914D+02 -0.204518D+02  0.505515D+02 -0.160552D+02
      4   0.207791D+01  0.739046D+01 -0.167044D+02  0.293004D+02 -0.192643D+02
      5   0.417294D+02 -0.151739D+02 -0.170910D+02 -0.102919D+02  0.564092D+01
      6  -0.160473D+01 -0.412472D+01  0.143511D+02  0.560098D+01 -0.200703D+01
               111           112           113           114           115 
      1  -0.278437D+01  0.274875D+02 -0.123869D+02  0.168806D+01  0.230565D+02
      2   0.102082D+01 -0.615610D+01  0.888215D+01 -0.123480D+01 -0.151726D+02
      3   0.176355D+01 -0.213314D+02  0.350475D+01 -0.453266D+00 -0.788397D+01
      4   0.283522D+01 -0.368520D+01  0.201564D+02  0.186752D+01 -0.119418D+00
      5  -0.117110D+00  0.101587D+02 -0.297089D-02 -0.775474D-02  0.241799D+02
      6   0.292919D+01 -0.179673D+01  0.308981D+01  0.108320D+01 -0.322235D+01
               116           117           118           119           120 
      1   0.122709D+01  0.230663D+02 -0.392420D+01  0.689241D+01  0.181187D+01
      2   0.580943D+00 -0.508875D+01  0.761741D+01 -0.165471D+01 -0.852491D+00
      3  -0.180804D+01 -0.179776D+02 -0.369321D+01 -0.523770D+01 -0.959377D+00
      4   0.489261D+01 -0.497428D+01  0.124450D+02  0.110421D+02 -0.845105D+00
      5  -0.520692D+01  0.866285D+01  0.103503D+01 -0.129618D+01  0.761114D+01
      6  -0.296324D+01 -0.229763D+01 -0.132868D+01 -0.104668D+01  0.237544D+00
               121           122           123           124           125 
      1   0.102169D+02 -0.128146D+02  0.244204D+01  0.285831D+01 -0.236624D+00
      2  -0.336504D-01  0.277022D+02 -0.127934D+01 -0.153301D+01  0.178186D+01
      3  -0.101833D+02 -0.148876D+02 -0.116271D+01 -0.132530D+01 -0.154523D+01
      4   0.189532D+02  0.506742D+02 -0.165392D+01 -0.483174D-02  0.162390D+00
      5  -0.567793D+00 -0.155709D+01  0.100311D+02  0.999950D+01  0.568014D+01
      6  -0.162787D+01 -0.651519D+01  0.468873D+01  0.154997D+01  0.568249D+01
               126           127           128           129           130 
      1   0.120455D+01  0.111467D+03  0.119818D+02 -0.196808D+02  0.209699D+02
      2  -0.225722D+00 -0.656821D+02 -0.568840D+01  0.169764D+02 -0.114092D+02
      3  -0.978827D+00 -0.457854D+02 -0.629335D+01  0.270440D+01 -0.956066D+01
      4   0.614387D+01  0.179571D+02  0.143739D+02 -0.310785D+01  0.190364D+02
      5  -0.163050D+01 -0.601151D+02 -0.528219D+01  0.272063D+02 -0.130912D+02
      6  -0.630690D+00 -0.749401D+01 -0.549533D+01  0.148521D+01 -0.671519D+01
               131           132           133           134           135 
      1   0.102275D+02 -0.235748D+01 -0.785948D+01  0.524830D+00  0.767913D+01
      2  -0.425222D+01  0.416835D+01  0.806798D+01  0.148544D+01 -0.743016D+01
      3  -0.597526D+01 -0.181087D+01 -0.208501D+00 -0.201028D+01 -0.248971D+00
      4   0.370575D+01 -0.519350D+01 -0.122107D+01 -0.204121D+01  0.431496D+01
      5  -0.714597D+01  0.846353D+01  0.170941D+02  0.399539D+01 -0.819262D+01
      6  -0.781819D+00  0.345206D+01  0.157517D+01  0.166331D+01 -0.221542D+01
               136           137           138           139           140 
      1  -0.568345D+01  0.757089D+01 -0.220142D+02  0.835200D+01 -0.105629D+02
      2  -0.107074D+01 -0.195996D+01 -0.119905D+01 -0.498561D+01  0.205326D+01
      3   0.675418D+01 -0.561092D+01  0.232132D+02 -0.336638D+01  0.850961D+01
      4   0.423414D+01 -0.386396D+01  0.268900D+01  0.107093D+01  0.454630D+01
      5  -0.184823D+01 -0.151678D+00 -0.106559D+02 -0.572718D+01 -0.813105D+01
      6  -0.367174D+01  0.457516D+01 -0.419067D+01  0.424123D+00 -0.621352D+01
               141           142           143           144           145 
      1   0.125950D+02 -0.991615D+01  0.875929D+01 -0.385149D+02  0.673672D+01
      2   0.358806D+01  0.289059D+01  0.222888D+01 -0.126625D+02 -0.157302D+01
      3  -0.161830D+02  0.702556D+01 -0.109882D+02  0.511774D+02 -0.516370D+01
      4  -0.110457D+02 -0.484492D+00 -0.900447D+01  0.122744D+02 -0.539003D+01
      5   0.164590D+02  0.434146D+01  0.921374D+01 -0.376113D+02 -0.382020D+01
      6   0.120829D+02 -0.234276D+00  0.937332D+01 -0.126286D+02  0.262787D+01
               146           147           148           149           150 
      1  -0.551676D+01 -0.517718D+01 -0.112761D+02 -0.102973D+02 -0.281830D+01
      2   0.303673D+01  0.371102D+00  0.708097D+01  0.137961D+02 -0.223389D+01
      3   0.248003D+01  0.480607D+01  0.419510D+01 -0.349876D+01  0.505219D+01
      4   0.324600D+01  0.957713D+00  0.106356D+02 -0.483433D+02 -0.129614D+02
      5   0.256909D+01 -0.144222D+01  0.119064D+02 -0.119729D+02 -0.149712D+02
      6  -0.486495D-01 -0.753429D-01 -0.392579D+01  0.267660D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.412844D+00 -0.217038D+01 -0.732765D+01  0.186784D+03 -0.302174D+02
      2  -0.102187D+01 -0.547763D+00  0.150803D+01 -0.868723D+02  0.940122D+01
      3   0.143472D+01  0.271814D+01  0.581962D+01 -0.999122D+02  0.208162D+02
      4   0.207034D+01 -0.580039D+01 -0.583103D+01 -0.411738D+02  0.372064D+02
      5  -0.239467D+00 -0.583302D+01 -0.326362D+01  0.307764D+02 -0.561461D+01
      6  -0.142288D+01  0.779757D+01  0.389730D+01 -0.488976D+01  0.479110D+01
               156           157           158           159           160 
      1   0.485381D+01 -0.394767D+02  0.345724D+02 -0.270140D+00  0.672944D+01
      2  -0.720933D+01  0.127196D+02 -0.909645D+01  0.142007D+01 -0.782044D+01
      3   0.235551D+01  0.267571D+02 -0.254760D+02 -0.114993D+01  0.109100D+01
      4  -0.206768D+01  0.526083D+02 -0.371761D+02  0.246366D+01 -0.320866D+01
      5   0.333350D+02 -0.842812D+01  0.722672D+01 -0.109143D+02  0.355924D+02
      6  -0.164858D+01  0.900218D+01 -0.650768D+01  0.535133D+01 -0.420782D+01
               161           162           163           164           165 
      1  -0.917698D+00  0.211344D+02  0.428657D+02 -0.821020D+01  0.155428D+02
      2   0.128477D+01 -0.139784D+02 -0.309026D+02  0.334596D+01 -0.964909D+01
      3  -0.367074D+00 -0.715603D+01 -0.119631D+02  0.486423D+01 -0.589368D+01
      4   0.253691D+00 -0.847627D+01 -0.804064D+01  0.811421D+01  0.119118D+01
      5  -0.931894D+01  0.503413D+01  0.311079D+02 -0.921457D+00  0.176144D+02
      6   0.493399D+01 -0.203538D+01 -0.361285D+01  0.173417D+01  0.422394D+00
               166           167           168           169           170 
      1  -0.156505D+02 -0.648570D+01  0.157372D-01 -0.169472D+01  0.206161D+00
      2   0.834335D+01  0.132223D+01  0.635783D+00 -0.289930D+01 -0.680383D+00
      3   0.730718D+01  0.516347D+01 -0.651520D+00  0.459402D+01  0.474222D+00
      4   0.591215D+01  0.171437D+01  0.112435D+02  0.327004D+01  0.436798D+01
      5  -0.685969D+01  0.112736D+02 -0.224189D+01  0.157974D+02  0.313868D+01
      6   0.138143D+01  0.776707D+00  0.117080D+02  0.258611D+01  0.104882D+02
               171           172           173           174           175 
      1  -0.312106D+02 -0.449899D+02  0.721396D+01  0.518115D+01  0.137910D+02
      2  -0.141860D+02  0.281296D+02 -0.363028D+01  0.489814D+01 -0.890497D+01
      3   0.453967D+02  0.168603D+02 -0.358367D+01 -0.100793D+02 -0.488601D+01
      4   0.537374D+01  0.646708D+01 -0.474622D+01 -0.854505D+00 -0.103249D+01
      5   0.449394D+02 -0.237918D+02  0.150595D+01 -0.136549D+02  0.619049D+01
      6   0.367264D+01  0.329396D+01 -0.368412D+01 -0.139615D+01 -0.112923D+01
               176           177           178           179           180 
      1  -0.643132D+01 -0.172923D+01 -0.845778D+01  0.244490D+00 -0.915147D+01
      2   0.405050D+01 -0.894636D+00  0.110683D+02 -0.548308D+00  0.483045D+01
      3   0.238082D+01  0.262387D+01 -0.261049D+01  0.303818D+00  0.432103D+01
      4   0.237144D+01  0.303921D+01  0.203084D+01 -0.397904D-01  0.116112D+01
      5   0.169911D+01  0.454486D+01 -0.111682D+02  0.958191D+00 -0.318949D+01
      6   0.240184D+01  0.334410D+01 -0.786266D+00  0.111216D+01  0.887059D+00
               181           182           183           184           185 
      1   0.281478D+02  0.546281D+02  0.116693D+01 -0.407300D+02  0.199113D+02
      2  -0.148609D+02 -0.430966D+02 -0.396601D+00  0.334954D+02 -0.251674D+02
      3  -0.132869D+02 -0.115316D+02 -0.770326D+00  0.723457D+01  0.525610D+01
      4   0.717702D+01  0.398985D+02 -0.335639D+01 -0.762171D+00  0.412810D+02
      5   0.618670D+01 -0.625177D+01  0.168639D+02  0.370677D+00  0.102561D+01
      6  -0.433232D+01  0.198243D+01 -0.134202D+02  0.126832D+01 -0.173246D+01
               186           187           188           189           190 
      1   0.194637D+01  0.170820D+01 -0.668974D+01  0.439014D+01  0.139989D+03
      2  -0.233937D+01  0.933986D+00  0.364271D+01 -0.851422D+01 -0.713400D+02
      3   0.392996D+00 -0.264219D+01  0.304703D+01  0.412408D+01 -0.686493D+02
      4   0.176905D+01 -0.541675D+01 -0.435657D+00 -0.231544D+02  0.118177D+02
      5  -0.985708D+01  0.358531D+02 -0.187154D+02 -0.391698D+01  0.256067D+01
      6   0.308440D+01 -0.236347D+02  0.139403D+02  0.395534D+01 -0.172150D+01
               191           192           193           194           195 
      1  -0.196286D+01 -0.789784D+01 -0.320052D+02 -0.420516D+02  0.776541D+00
      2  -0.103902D+02  0.204032D+01  0.308291D+01  0.468890D+02  0.155868D+01
      3   0.123531D+02  0.585751D+01  0.289223D+02 -0.483742D+01 -0.233522D+01
      4   0.237823D+02 -0.585822D+00 -0.414953D+02 -0.664109D+02  0.121794D+01
      5   0.568800D+00  0.112295D+02 -0.212381D+01  0.944187D+00 -0.133095D+01
      6   0.947148D+00 -0.217517D+01  0.253203D+01  0.953166D+00 -0.907629D+01
               196           197           198           199           200 
      1  -0.410156D+01 -0.195264D+01  0.224508D+02 -0.109482D+03 -0.242866D+02
      2   0.210078D+01  0.222505D+01 -0.209465D+02  0.384434D+02  0.255683D+02
      3   0.200079D+01 -0.272416D+00 -0.150430D+01  0.710385D+02 -0.128167D+01
      4  -0.322264D+01 -0.304980D+01 -0.853240D+00 -0.361367D+02 -0.369016D+02
      5   0.493529D+02 -0.560964D+01 -0.403427D+01  0.973727D+00  0.338036D+01
      6  -0.117492D+01  0.444959D+01 -0.455787D+00  0.393407D+01  0.104864D+01
               201           202           203           204           205 
      1   0.665334D+01  0.791177D+02  0.136831D+02 -0.382285D+01  0.984176D+01
      2  -0.239050D+01 -0.480511D+02 -0.228095D+02  0.193195D+01 -0.449346D+01
      3  -0.426284D+01 -0.310666D+02  0.912642D+01  0.189090D+01 -0.534830D+01
      4   0.319320D+01  0.258822D+02  0.198895D+02 -0.162939D+01  0.522144D+01
      5   0.431481D+01 -0.876111D+00 -0.642253D+00  0.148149D+02  0.244517D+01
      6  -0.735341D+00 -0.182692D+01 -0.654592D+00  0.913767D+01  0.171166D+01
               206           207           208           209           210 
      1   0.511733D+01 -0.159687D+02  0.194249D+02 -0.635120D+01  0.113797D+01
      2  -0.405095D+01 -0.284556D+01 -0.138555D+02  0.584616D+01  0.148438D+01
      3  -0.106638D+01  0.188143D+02 -0.556938D+01  0.505043D+00 -0.262236D+01
      4   0.362598D+01  0.169176D+02 -0.181691D+02  0.909790D+01  0.877468D+00
      5   0.212008D+02  0.342100D+01 -0.358167D+01 -0.646691D-01  0.164232D+02
      6   0.102896D+02 -0.116368D+00  0.106687D+01 -0.140742D+01  0.309892D+01
               211           212           213           214           215 
      1  -0.204038D+02  0.361505D+01  0.389918D+01 -0.884372D-02 -0.608559D-01
      2   0.117344D+02 -0.212914D+01 -0.182369D+01  0.147115D+01 -0.561902D+00
      3   0.866937D+01 -0.148591D+01 -0.207549D+01 -0.146230D+01  0.622758D+00
      4   0.248668D+02 -0.183543D+02 -0.137071D+01  0.121494D+01 -0.598435D+00
      5   0.300558D+01 -0.389473D+00  0.156799D+02  0.118161D+02 -0.396225D+01
      6  -0.190475D+00  0.272232D+00  0.132212D+02 -0.118807D+01  0.411406D+01
               216           217           218           219           220 
      1   0.490723D+01 -0.103138D+03 -0.276091D+01  0.137804D+02  0.162831D+02
      2  -0.252403D+01  0.573606D+02  0.451174D+01 -0.749086D+01 -0.500004D+01
      3  -0.238320D+01  0.457776D+02 -0.175083D+01 -0.628957D+01 -0.112830D+02
      4  -0.521080D+01  0.159376D+00  0.220926D+02 -0.275103D+01  0.161374D+01
      5  -0.303838D+01  0.122699D+02 -0.335233D+01  0.190869D+02 -0.657940D+01
      6   0.509902D+00  0.765289D+00 -0.249132D+01  0.820775D+01 -0.216291D+01
               221           222           223           224           225 
      1   0.199498D+02 -0.107668D+02  0.112658D+02 -0.646225D+01  0.272994D+02
      2  -0.101311D+02  0.346524D+01 -0.635688D+01  0.219822D+01 -0.202820D+02
      3  -0.981871D+01  0.730159D+01 -0.490891D+01  0.426403D+01 -0.701745D+01
      4   0.201722D+01 -0.160127D+00 -0.417798D+01 -0.164855D+01 -0.390581D+02
      5  -0.794041D-01 -0.658563D+02 -0.365976D+01 -0.425304D+02 -0.779290D+01
      6   0.125515D+01 -0.268419D+02 -0.649628D+01 -0.194958D+02  0.750842D-01
               226           227           228           229           230 
      1  -0.685381D+01 -0.157071D+02  0.468667D+00 -0.556568D+01 -0.563075D+02
      2   0.827055D+01  0.171584D+02 -0.264637D+00  0.557229D+01  0.743349D+02
      3  -0.141674D+01 -0.145129D+01 -0.204031D+00 -0.661356D-02 -0.180275D+02
      4   0.560638D+00  0.471232D+01  0.235307D+00  0.325166D+01 -0.223082D+02
      5   0.404275D+00  0.667680D+00  0.106214D+01  0.920010D-01  0.208056D+01
      6  -0.300284D+00 -0.800940D+00  0.204513D+01  0.181927D+00 -0.972067D+00
               231           232           233           234           235 
      1  -0.602384D+00  0.705187D+00  0.191598D+00 -0.109492D+01  0.367889D+02
      2   0.693666D+00 -0.458764D+00  0.132596D+00  0.222138D+01 -0.716749D+01
      3  -0.912815D-01 -0.246423D+00 -0.324194D+00 -0.112646D+01 -0.296214D+02
      4   0.322962D-01 -0.392897D-01 -0.624384D+00  0.651536D+00 -0.522302D+02
      5  -0.225166D+01  0.230638D+01  0.133316D+00 -0.258219D+00 -0.344638D+01
      6   0.784193D+01 -0.909580D+00  0.356060D+01  0.400371D-01  0.265136D+01
               236           237           238           239           240 
      1  -0.187214D+02 -0.245742D+01 -0.170027D+02  0.931409D+01  0.792665D+00
      2  -0.192524D+01  0.671526D+00 -0.782245D+01  0.160385D+02  0.865137D+00
      3   0.206467D+02  0.178590D+01  0.248251D+02 -0.253526D+02 -0.165780D+01
      4   0.421529D+02  0.426511D+01  0.498677D+02 -0.544596D+02 -0.438892D+01
      5   0.212328D+01  0.692609D+01  0.219075D+01 -0.197707D+01 -0.637012D+01
      6  -0.201379D+01 -0.410753D+01 -0.229192D+01  0.276594D+01  0.546067D+01
               241           242           243           244           245 
      1  -0.348867D+01  0.138660D+01 -0.350340D-01  0.660208D+01  0.100327D+02
      2   0.661125D+00  0.404680D+00  0.121689D+01 -0.834465D+00 -0.306704D+01
      3   0.282755D+01 -0.179128D+01 -0.118185D+01 -0.576762D+01 -0.696566D+01
      4   0.528266D+01 -0.432240D+01 -0.384752D+01  0.154423D+02  0.134433D+02
      5  -0.148940D+00 -0.277519D+01 -0.115124D+01  0.286576D-01 -0.337619D+00
      6   0.678483D+00  0.259881D+01  0.729037D+00 -0.200800D-01 -0.398082D+00
               246           247           248           249           250 
      1  -0.212252D+00  0.103419D+02 -0.625190D+01 -0.475435D+00 -0.244412D+00
      2   0.888333D-01  0.134450D+01  0.192652D+02 -0.286428D-01  0.132812D+00
      3   0.123419D+00 -0.116864D+02 -0.130133D+02  0.504078D+00  0.111600D+00
      4  -0.824805D+00  0.248377D+02  0.411347D+02 -0.590887D+00 -0.565934D+00
      5   0.118009D+01  0.232579D+00  0.145374D+01  0.390223D+01  0.759207D+00
      6   0.391604D+00 -0.295022D-01  0.125178D+00  0.452060D+01  0.204865D+01
               251           252           253           254           255 
      1  -0.109404D+01 -0.132536D+01  0.593888D+01  0.479804D+01  0.930445D+01
      2   0.642702D+00  0.222543D+01 -0.291797D+01 -0.368280D+01 -0.437004D+01
      3   0.451339D+00 -0.900071D+00 -0.302091D+01 -0.111524D+01 -0.493441D+01
      4  -0.306418D-01  0.159860D+00  0.576256D+00 -0.262891D+01  0.225763D+01
      5  -0.784868D+00 -0.553447D-01  0.725870D+01  0.700434D+00 -0.718201D+01
      6   0.151888D+01  0.170192D-01  0.271401D+01 -0.356547D+00 -0.417479D+01
               256           257           258           259           260 
      1   0.519969D+01 -0.213260D+01 -0.100533D+01  0.243052D+02  0.419899D+01
      2   0.422124D+00  0.906284D+01  0.556773D+01 -0.111801D+02  0.234713D+01
      3  -0.562181D+01 -0.693024D+01 -0.456240D+01 -0.131251D+02 -0.654612D+01
      4   0.186098D+02  0.285589D+02  0.198455D+02  0.232804D+02  0.258463D+02
      5   0.114329D+02  0.208355D+02  0.268721D+02  0.214300D+02  0.281947D+02
      6   0.496165D+01  0.101555D+02  0.130121D+02  0.866336D+01  0.138083D+02
               261           262           263           264           265 
      1  -0.731522D+01  0.204960D+03  0.134582D+02 -0.130803D+02 -0.111154D+02
      2   0.187316D+01 -0.106037D+03 -0.398640D+01  0.767628D+01  0.918308D+01
      3   0.544206D+01 -0.989230D+02 -0.947185D+01  0.540405D+01  0.193234D+01
      4   0.260711D+02  0.370134D+02  0.185669D+02 -0.223606D+01  0.176971D+02
      5   0.522249D+02 -0.154469D+02 -0.873240D+00  0.178740D+02  0.952504D+00
      6   0.187538D+02 -0.225455D+01 -0.774597D+00  0.279526D+01 -0.679878D+00
               266           267           268           269           270 
      1   0.155563D+02  0.141027D+01 -0.133426D+02 -0.157522D+00  0.147696D+02
      2  -0.758262D+01 -0.104033D+01  0.805922D+01 -0.625158D-01 -0.837853D+01
      3  -0.797371D+01 -0.369943D+00  0.528341D+01  0.220038D+00 -0.639105D+01
      4  -0.308271D+00 -0.153057D+01 -0.231595D+01 -0.168083D+01  0.619177D+01
      5  -0.176796D+01  0.122744D+01  0.226720D+02  0.521882D+01 -0.415330D+01
      6  -0.175420D+00  0.199602D+01  0.327752D+01  0.298611D+01 -0.723995D+00
               271           272           273           274           275 
      1  -0.282981D+01  0.483257D+01 -0.135841D+02  0.338984D+01 -0.845345D+01
      2   0.826365D+00 -0.452546D+01  0.589152D+01  0.151380D-01  0.118480D+02
      3   0.200344D+01 -0.307112D+00  0.769258D+01 -0.340498D+01 -0.339456D+01
      4  -0.398713D+01 -0.707521D+01  0.188725D+01  0.151933D+02  0.292972D+02
      5  -0.612765D+01  0.337558D+01 -0.121963D+02 -0.811410D+01 -0.209090D+02
      6  -0.209848D+01  0.334771D+01 -0.686141D+01 -0.447630D+01 -0.131684D+02
               276           277           278           279 
      1   0.785601D+01 -0.206804D+02  0.343185D+01 -0.152819D+02
      2  -0.769860D+01  0.100956D+02 -0.433895D+01  0.341819D+01
      3  -0.157409D+00  0.105848D+02  0.907103D+00  0.118637D+02
      4  -0.210968D+02 -0.169467D+02 -0.235205D+02  0.262815D+02
      5   0.275128D+02  0.165085D+02  0.278392D+02 -0.454573D+02
      6   0.152467D+02  0.748235D+01  0.157167D+02 -0.201441D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 02:37:16 2021, MaxMem=  5368709120 cpu:          138565.9 elap:           17329.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51893 -19.51772 -19.46245 -10.57539 -10.51859
 Alpha  occ. eigenvalues --  -10.50079 -10.47196 -10.46915 -10.46883 -10.46374
 Alpha  occ. eigenvalues --  -10.46193 -10.46143 -10.45923 -10.45844 -10.45625
 Alpha  occ. eigenvalues --  -10.45266 -10.43605  -1.24758  -1.22442  -1.15784
 Alpha  occ. eigenvalues --   -1.04228  -0.99584  -0.94971  -0.92877  -0.89747
 Alpha  occ. eigenvalues --   -0.87582  -0.84588  -0.79751  -0.77131  -0.74836
 Alpha  occ. eigenvalues --   -0.74487  -0.72659  -0.67072  -0.66292  -0.65366
 Alpha  occ. eigenvalues --   -0.62442  -0.60876  -0.60181  -0.59573  -0.58157
 Alpha  occ. eigenvalues --   -0.57792  -0.56355  -0.55199  -0.54369  -0.53968
 Alpha  occ. eigenvalues --   -0.53378  -0.52856  -0.51025  -0.50141  -0.48725
 Alpha  occ. eigenvalues --   -0.47584  -0.47524  -0.46962  -0.45241  -0.44127
 Alpha  occ. eigenvalues --   -0.43683  -0.42833  -0.40871  -0.38633  -0.34057
 Alpha  occ. eigenvalues --   -0.31491
 Alpha virt. eigenvalues --   -0.01841  -0.01376  -0.00677  -0.00085   0.00193
 Alpha virt. eigenvalues --    0.00565   0.01017   0.01142   0.01561   0.01852
 Alpha virt. eigenvalues --    0.02301   0.03240   0.03508   0.04073   0.04144
 Alpha virt. eigenvalues --    0.04984   0.05320   0.05785   0.05932   0.06447
 Alpha virt. eigenvalues --    0.06668   0.07160   0.08257   0.08366   0.08916
 Alpha virt. eigenvalues --    0.09150   0.09393   0.09518   0.09977   0.10255
 Alpha virt. eigenvalues --    0.10689   0.10841   0.11105   0.11323   0.11797
 Alpha virt. eigenvalues --    0.12128   0.12290   0.12756   0.13081   0.13327
 Alpha virt. eigenvalues --    0.13681   0.13890   0.13978   0.14357   0.14766
 Alpha virt. eigenvalues --    0.15046   0.15581   0.15842   0.16488   0.16923
 Alpha virt. eigenvalues --    0.17561   0.17676   0.18377   0.18469   0.18671
 Alpha virt. eigenvalues --    0.19118   0.19299   0.19770   0.20567   0.21632
 Alpha virt. eigenvalues --    0.22323   0.22558   0.23378   0.23748   0.24812
 Alpha virt. eigenvalues --    0.25036   0.25354   0.25629   0.25944   0.26181
 Alpha virt. eigenvalues --    0.26460   0.26500   0.26679   0.27056   0.27204
 Alpha virt. eigenvalues --    0.27483   0.27977   0.28259   0.28750   0.28908
 Alpha virt. eigenvalues --    0.29269   0.29870   0.30371   0.30471   0.30790
 Alpha virt. eigenvalues --    0.31223   0.31406   0.31468   0.32004   0.32736
 Alpha virt. eigenvalues --    0.32978   0.33333   0.33553   0.34033   0.34707
 Alpha virt. eigenvalues --    0.34842   0.35345   0.35667   0.36140   0.36749
 Alpha virt. eigenvalues --    0.36952   0.37146   0.37408   0.37796   0.38305
 Alpha virt. eigenvalues --    0.39053   0.39437   0.40054   0.40537   0.40693
 Alpha virt. eigenvalues --    0.40879   0.41853   0.42400   0.42666   0.42986
 Alpha virt. eigenvalues --    0.43326   0.44017   0.44254   0.44696   0.45441
 Alpha virt. eigenvalues --    0.45884   0.46203   0.46527   0.46820   0.47716
 Alpha virt. eigenvalues --    0.48024   0.48445   0.49006   0.49112   0.49838
 Alpha virt. eigenvalues --    0.50299   0.50909   0.51802   0.52628   0.52774
 Alpha virt. eigenvalues --    0.52940   0.53351   0.53987   0.55098   0.55263
 Alpha virt. eigenvalues --    0.55612   0.55801   0.56498   0.56550   0.57095
 Alpha virt. eigenvalues --    0.57217   0.57519   0.58202   0.58694   0.59002
 Alpha virt. eigenvalues --    0.59609   0.59751   0.60317   0.61033   0.61201
 Alpha virt. eigenvalues --    0.61500   0.62054   0.62424   0.62497   0.63279
 Alpha virt. eigenvalues --    0.63755   0.64311   0.64551   0.64958   0.65160
 Alpha virt. eigenvalues --    0.65362   0.65809   0.66448   0.66663   0.66754
 Alpha virt. eigenvalues --    0.66972   0.67902   0.68341   0.68783   0.69400
 Alpha virt. eigenvalues --    0.69736   0.70150   0.70676   0.71429   0.71543
 Alpha virt. eigenvalues --    0.72025   0.72637   0.73316   0.73580   0.73864
 Alpha virt. eigenvalues --    0.74672   0.74970   0.75537   0.75679   0.76494
 Alpha virt. eigenvalues --    0.77259   0.77896   0.78212   0.79306   0.79788
 Alpha virt. eigenvalues --    0.79951   0.80885   0.80991   0.81766   0.82277
 Alpha virt. eigenvalues --    0.82479   0.82840   0.83175   0.83804   0.84039
 Alpha virt. eigenvalues --    0.84533   0.85334   0.85822   0.86137   0.86888
 Alpha virt. eigenvalues --    0.87807   0.88919   0.89253   0.89738   0.89940
 Alpha virt. eigenvalues --    0.90496   0.90634   0.91205   0.91766   0.93073
 Alpha virt. eigenvalues --    0.93557   0.95547   0.95882   0.96575   0.97076
 Alpha virt. eigenvalues --    0.97543   0.98665   1.00043   1.00347   1.01470
 Alpha virt. eigenvalues --    1.01882   1.03234   1.04175   1.05078   1.06480
 Alpha virt. eigenvalues --    1.07107   1.08394   1.09068   1.09385   1.10781
 Alpha virt. eigenvalues --    1.11008   1.11687   1.11986   1.12481   1.14264
 Alpha virt. eigenvalues --    1.15843   1.16274   1.17305   1.18068   1.18847
 Alpha virt. eigenvalues --    1.20370   1.21408   1.22305   1.23190   1.23588
 Alpha virt. eigenvalues --    1.24387   1.25512   1.26238   1.27691   1.29074
 Alpha virt. eigenvalues --    1.29839   1.30365   1.31797   1.33106   1.34218
 Alpha virt. eigenvalues --    1.34725   1.36176   1.37124   1.38646   1.38877
 Alpha virt. eigenvalues --    1.39970   1.40876   1.41558   1.41881   1.42325
 Alpha virt. eigenvalues --    1.43506   1.43835   1.45971   1.46742   1.47078
 Alpha virt. eigenvalues --    1.47397   1.48174   1.48993   1.49118   1.50877
 Alpha virt. eigenvalues --    1.52030   1.52840   1.53811   1.55162   1.55999
 Alpha virt. eigenvalues --    1.56739   1.57148   1.58387   1.58772   1.59408
 Alpha virt. eigenvalues --    1.59658   1.60509   1.61980   1.62161   1.62974
 Alpha virt. eigenvalues --    1.64141   1.64802   1.66122   1.66881   1.67101
 Alpha virt. eigenvalues --    1.67873   1.68157   1.68822   1.69549   1.69976
 Alpha virt. eigenvalues --    1.71197   1.71893   1.72342   1.73346   1.74812
 Alpha virt. eigenvalues --    1.75141   1.75828   1.76130   1.76933   1.78435
 Alpha virt. eigenvalues --    1.78466   1.79759   1.81238   1.81435   1.81603
 Alpha virt. eigenvalues --    1.82548   1.83400   1.85270   1.86153   1.86877
 Alpha virt. eigenvalues --    1.87382   1.88354   1.89610   1.90610   1.91339
 Alpha virt. eigenvalues --    1.92026   1.93457   1.95460   1.95688   1.96586
 Alpha virt. eigenvalues --    1.96795   1.97563   1.98711   1.99167   1.99656
 Alpha virt. eigenvalues --    2.01280   2.01858   2.02544   2.03782   2.04384
 Alpha virt. eigenvalues --    2.04620   2.04952   2.06363   2.06711   2.07106
 Alpha virt. eigenvalues --    2.08184   2.08618   2.09734   2.10120   2.11560
 Alpha virt. eigenvalues --    2.12012   2.12753   2.13473   2.14698   2.15336
 Alpha virt. eigenvalues --    2.16441   2.17171   2.17635   2.19643   2.20064
 Alpha virt. eigenvalues --    2.21502   2.22796   2.22891   2.23667   2.25740
 Alpha virt. eigenvalues --    2.26401   2.26906   2.27812   2.29538   2.31087
 Alpha virt. eigenvalues --    2.31746   2.33006   2.34344   2.35783   2.38042
 Alpha virt. eigenvalues --    2.39098   2.39579   2.40771   2.42179   2.42514
 Alpha virt. eigenvalues --    2.43100   2.44653   2.47433   2.49046   2.50506
 Alpha virt. eigenvalues --    2.51572   2.54252   2.56363   2.56970   2.58529
 Alpha virt. eigenvalues --    2.60227   2.61521   2.63892   2.64928   2.65420
 Alpha virt. eigenvalues --    2.67748   2.69008   2.69241   2.72386   2.73827
 Alpha virt. eigenvalues --    2.77037   2.77786   2.80950   2.81060   2.84703
 Alpha virt. eigenvalues --    2.85818   2.88700   2.91866   2.92451   2.95512
 Alpha virt. eigenvalues --    2.97994   2.99190   3.01187   3.09871   3.10629
 Alpha virt. eigenvalues --    3.15067   3.20500   3.27863   3.33787   3.37971
 Alpha virt. eigenvalues --    3.42112   3.44712   3.48276   3.49064   3.50212
 Alpha virt. eigenvalues --    3.51721   3.52642   3.54910   3.56725   3.58232
 Alpha virt. eigenvalues --    3.59479   3.60629   3.64222   3.70567   3.80053
 Alpha virt. eigenvalues --    3.81640   3.84415   3.86599   3.94734   4.06030
 Alpha virt. eigenvalues --    4.39648   4.67571
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   40.247260  -8.540507 -22.120373   7.131905  -5.377979   5.611328
     2  C   -8.540507  28.837320   8.779280  -4.408012   5.901774 -13.655003
     3  C  -22.120373   8.779280  50.657167 -17.352048   0.975950  -3.925001
     4  C    7.131905  -4.408012 -17.352048  32.240159 -10.578232   3.450664
     5  C   -5.377979   5.901774   0.975950 -10.578232  37.821961 -21.068934
     6  C    5.611328 -13.655003  -3.925001   3.450664 -21.068934  42.385054
     7  C  -18.671160   2.207173  -4.517254   0.678189  -2.346571   1.448139
     8  H    1.774329  -0.721948  -5.475514   1.772274   0.487078  -0.160908
     9  H   -0.053842  -0.564829   0.445356   0.596959  -3.940589   1.914415
    10  H   -0.452675   1.108042  -0.068149  -0.518935   2.834197  -4.528547
    11  C    0.951633  -1.970790  -1.440718  -7.095840  -2.523454   2.676865
    12  C    0.223561  -0.160062  -0.382554  -0.000614  -0.575965   0.127746
    13  C   -0.062830  -0.016715  -0.445163   0.438957  -0.402857  -0.123427
    14  H   -0.000547  -0.022919  -0.387986   1.420211  -0.131489  -0.062871
    15  H    0.022504   0.036241  -0.251453   1.061609  -0.019611  -0.078584
    16  H   -0.040370   0.006169   0.266536  -0.862407   0.103149   0.030470
    17  H    0.063723  -0.108964  -0.027888  -0.174729  -0.256420   0.200936
    18  O    0.007563   0.009659  -0.004479   0.140518   0.044699  -0.009423
    19  O    0.039138  -0.008741  -0.034713  -0.079277  -0.001546   0.011579
    20  H    0.026047  -0.056702  -0.022963   0.107907  -0.111290   0.067030
    21  C    8.116826  -6.508070  -2.303332   0.596052   0.752626  -1.274820
    22  C   -7.946243   2.317825   0.938416  -0.433018   0.770841  -0.397962
    23  C    4.347513  -7.296489   0.195435  -1.327444   3.398255  -8.055069
    24  O    0.194754  -0.118381  -0.059468   0.038027  -0.030819  -0.043994
    25  C   -0.184895   0.024382  -0.025791   0.016785   0.014071   0.019410
    26  H    2.171176  -0.175437  -0.037976   0.107033   0.000498  -0.105713
    27  H   -0.513735   0.237502  -0.074384  -0.001788   0.016244   0.038374
    28  H   -0.439991   0.732518   0.036775  -0.069887   0.318731   0.129216
    29  H   -0.040726   0.093220  -0.000179   0.002604  -0.014517   0.000421
    30  H    0.024132  -0.101320   0.001138  -0.000825   0.006644   0.005890
    31  H   -0.038719   0.059319   0.002872  -0.000387  -0.009748   0.002795
               7          8          9         10         11         12
     1  C  -18.671160   1.774329  -0.053842  -0.452675   0.951633   0.223561
     2  C    2.207173  -0.721948  -0.564829   1.108042  -1.970790  -0.160062
     3  C   -4.517254  -5.475514   0.445356  -0.068149  -1.440718  -0.382554
     4  C    0.678189   1.772274   0.596959  -0.518935  -7.095840  -0.000614
     5  C   -2.346571   0.487078  -3.940589   2.834197  -2.523454  -0.575965
     6  C    1.448139  -0.160908   1.914415  -4.528547   2.676865   0.127746
     7  C   47.941237   0.719113   0.042111  -0.107418  -0.187812   0.115954
     8  H    0.719113   3.261717  -0.037998   0.006194   0.254554   0.035277
     9  H    0.042111  -0.037998   3.597558  -0.300035   0.447958   0.034067
    10  H   -0.107418   0.006194  -0.300035   2.916684  -0.046121   0.016870
    11  C   -0.187812   0.254554   0.447958  -0.046121  18.198072   0.357522
    12  C    0.115954   0.035277   0.034067   0.016870   0.357522   5.009493
    13  C    0.046058   0.019168   0.015407   0.009482  -1.833703  -0.262820
    14  H   -0.014706  -0.138141  -0.015783   0.001388  -1.846638   0.085984
    15  H    0.000218   0.006984   0.027718  -0.002361  -0.445434  -0.026588
    16  H   -0.024999   0.008700   0.013122  -0.000861   0.659030   0.070023
    17  H    0.032310  -0.001784  -0.098331   0.012129  -0.160888   0.533668
    18  O   -0.001015   0.002795  -0.004887   0.000120  -0.345660   0.036172
    19  O    0.001801   0.001050   0.007823  -0.000922   0.281138   0.008345
    20  H    0.032934  -0.019199   0.004799  -0.001715  -0.155332  -0.006593
    21  C  -21.303084   0.284409   0.031556  -0.017923   0.193050  -0.004710
    22  C    8.948836  -0.025966  -0.016205   0.137351  -0.069319   0.007820
    23  C   -8.054869  -0.035084  -0.199014   0.932475  -0.213076  -0.073439
    24  O   -0.391692  -0.000120  -0.000537   0.003041  -0.000375   0.000015
    25  C    0.405898  -0.000958  -0.001450   0.013500  -0.002252   0.000409
    26  H   -4.363439  -0.148292   0.002317  -0.002287  -0.008457   0.003379
    27  H    1.930093  -0.005398  -0.000726   0.004224   0.001465  -0.000679
    28  H   -0.216498   0.011284   0.011625  -0.156489   0.002947   0.000059
    29  H    0.052434  -0.000566  -0.000599   0.003194  -0.000023   0.000027
    30  H   -0.008320   0.000242   0.000081  -0.001127  -0.000217   0.000034
    31  H    0.049805  -0.000522  -0.000384   0.002350  -0.000166  -0.000044
              13         14         15         16         17         18
     1  C   -0.062830  -0.000547   0.022504  -0.040370   0.063723   0.007563
     2  C   -0.016715  -0.022919   0.036241   0.006169  -0.108964   0.009659
     3  C   -0.445163  -0.387986  -0.251453   0.266536  -0.027888  -0.004479
     4  C    0.438957   1.420211   1.061609  -0.862407  -0.174729   0.140518
     5  C   -0.402857  -0.131489  -0.019611   0.103149  -0.256420   0.044699
     6  C   -0.123427  -0.062871  -0.078584   0.030470   0.200936  -0.009423
     7  C    0.046058  -0.014706   0.000218  -0.024999   0.032310  -0.001015
     8  H    0.019168  -0.138141   0.006984   0.008700  -0.001784   0.002795
     9  H    0.015407  -0.015783   0.027718   0.013122  -0.098331  -0.004887
    10  H    0.009482   0.001388  -0.002361  -0.000861   0.012129   0.000120
    11  C   -1.833703  -1.846638  -0.445434   0.659030  -0.160888  -0.345660
    12  C   -0.262820   0.085984  -0.026588   0.070023   0.533668   0.036172
    13  C    7.895536   0.124452  -0.018272  -0.082060   0.006384   0.621122
    14  H    0.124452   2.371469  -0.029024  -0.103567   0.122115   0.048716
    15  H   -0.018272  -0.029024   1.750302  -0.413726  -0.414305  -0.015438
    16  H   -0.082060  -0.103567  -0.413726   1.801298  -0.305897   0.018089
    17  H    0.006384   0.122115  -0.414305  -0.305897   1.750620   0.026508
    18  O    0.621122   0.048716  -0.015438   0.018089   0.026508   7.713766
    19  O   -0.088427  -0.000630  -0.006253   0.008039   0.009590  -0.064368
    20  H    0.044752   0.021343   0.000169  -0.002361  -0.001249   0.000100
    21  C    0.005681   0.017791   0.000481  -0.004862  -0.003141  -0.000288
    22  C   -0.001651  -0.002603  -0.000160   0.001966   0.001341   0.000140
    23  C   -0.057211  -0.006052  -0.001029   0.005998  -0.026501   0.001126
    24  O   -0.000020  -0.000064  -0.000001  -0.000023  -0.000007   0.000000
    25  C   -0.000006  -0.000122  -0.000001   0.000024   0.000144   0.000004
    26  H    0.003280   0.012654   0.000375  -0.002270   0.000330   0.000125
    27  H   -0.000427   0.000099   0.000008   0.000095  -0.000155   0.000006
    28  H   -0.000256  -0.000475   0.000340  -0.000155  -0.001336   0.000000
    29  H   -0.000029   0.000019  -0.000003  -0.000001   0.000041   0.000001
    30  H    0.000013  -0.000017   0.000001   0.000001   0.000007   0.000000
    31  H    0.000006   0.000025  -0.000006   0.000006   0.000015   0.000000
              19         20         21         22         23         24
     1  C    0.039138   0.026047   8.116826  -7.946243   4.347513   0.194754
     2  C   -0.008741  -0.056702  -6.508070   2.317825  -7.296489  -0.118381
     3  C   -0.034713  -0.022963  -2.303332   0.938416   0.195435  -0.059468
     4  C   -0.079277   0.107907   0.596052  -0.433018  -1.327444   0.038027
     5  C   -0.001546  -0.111290   0.752626   0.770841   3.398255  -0.030819
     6  C    0.011579   0.067030  -1.274820  -0.397962  -8.055069  -0.043994
     7  C    0.001801   0.032934 -21.303084   8.948836  -8.054869  -0.391692
     8  H    0.001050  -0.019199   0.284409  -0.025966  -0.035084  -0.000120
     9  H    0.007823   0.004799   0.031556  -0.016205  -0.199014  -0.000537
    10  H   -0.000922  -0.001715  -0.017923   0.137351   0.932475   0.003041
    11  C    0.281138  -0.155332   0.193050  -0.069319  -0.213076  -0.000375
    12  C    0.008345  -0.006593  -0.004710   0.007820  -0.073439   0.000015
    13  C   -0.088427   0.044752   0.005681  -0.001651  -0.057211  -0.000020
    14  H   -0.000630   0.021343   0.017791  -0.002603  -0.006052  -0.000064
    15  H   -0.006253   0.000169   0.000481  -0.000160  -0.001029  -0.000001
    16  H    0.008039  -0.002361  -0.004862   0.001966   0.005998  -0.000023
    17  H    0.009590  -0.001249  -0.003141   0.001341  -0.026501  -0.000007
    18  O   -0.064368   0.000100  -0.000288   0.000140   0.001126   0.000000
    19  O    7.939988   0.226920   0.000201  -0.000004  -0.004406  -0.000013
    20  H    0.226920   0.690667  -0.010101   0.007470  -0.015001  -0.000024
    21  C    0.000201  -0.010101  34.775175  -9.367723   3.211955   0.021033
    22  C   -0.000004   0.007470  -9.367723  21.015542 -10.038879  -0.245755
    23  C   -0.004406  -0.015001   3.211955 -10.038879  29.535370   0.691119
    24  O   -0.000013  -0.000024   0.021033  -0.245755   0.691119   8.380458
    25  C    0.000008   0.000034  -0.661464  -0.070497   0.190587   0.239814
    26  H    0.000246   0.000035   2.291260  -0.759061   0.216624  -0.007665
    27  H   -0.000025  -0.000147  -3.086363   1.202985  -0.210157  -0.108288
    28  H    0.000558  -0.000617   0.613291   1.403318  -3.611122  -0.158047
    29  H   -0.000015   0.000059  -0.042464  -0.025064  -0.076334   0.091011
    30  H    0.000006  -0.000019  -0.013351   0.182837   0.075186  -0.332623
    31  H   -0.000018   0.000051  -0.024553  -0.019946  -0.063577   0.087946
              25         26         27         28         29         30
     1  C   -0.184895   2.171176  -0.513735  -0.439991  -0.040726   0.024132
     2  C    0.024382  -0.175437   0.237502   0.732518   0.093220  -0.101320
     3  C   -0.025791  -0.037976  -0.074384   0.036775  -0.000179   0.001138
     4  C    0.016785   0.107033  -0.001788  -0.069887   0.002604  -0.000825
     5  C    0.014071   0.000498   0.016244   0.318731  -0.014517   0.006644
     6  C    0.019410  -0.105713   0.038374   0.129216   0.000421   0.005890
     7  C    0.405898  -4.363439   1.930093  -0.216498   0.052434  -0.008320
     8  H   -0.000958  -0.148292  -0.005398   0.011284  -0.000566   0.000242
     9  H   -0.001450   0.002317  -0.000726   0.011625  -0.000599   0.000081
    10  H    0.013500  -0.002287   0.004224  -0.156489   0.003194  -0.001127
    11  C   -0.002252  -0.008457   0.001465   0.002947  -0.000023  -0.000217
    12  C    0.000409   0.003379  -0.000679   0.000059   0.000027   0.000034
    13  C   -0.000006   0.003280  -0.000427  -0.000256  -0.000029   0.000013
    14  H   -0.000122   0.012654   0.000099  -0.000475   0.000019  -0.000017
    15  H   -0.000001   0.000375   0.000008   0.000340  -0.000003   0.000001
    16  H    0.000024  -0.002270   0.000095  -0.000155  -0.000001   0.000001
    17  H    0.000144   0.000330  -0.000155  -0.001336   0.000041   0.000007
    18  O    0.000004   0.000125   0.000006   0.000000   0.000001   0.000000
    19  O    0.000008   0.000246  -0.000025   0.000558  -0.000015   0.000006
    20  H    0.000034   0.000035  -0.000147  -0.000617   0.000059  -0.000019
    21  C   -0.661464   2.291260  -3.086363   0.613291  -0.042464  -0.013351
    22  C   -0.070497  -0.759061   1.202985   1.403318  -0.025064   0.182837
    23  C    0.190587   0.216624  -0.210157  -3.611122  -0.076334   0.075186
    24  O    0.239814  -0.007665  -0.108288  -0.158047   0.091011  -0.332623
    25  C    4.313767  -0.004783   0.042917  -0.097980   0.310833   0.290910
    26  H   -0.004783   2.733096  -0.143052   0.006877  -0.000408  -0.000073
    27  H    0.042917  -0.143052   2.391451  -0.032529   0.008569  -0.006908
    28  H   -0.097980   0.006877  -0.032529   3.591851  -0.058681   0.029071
    29  H    0.310833  -0.000408   0.008569  -0.058681   1.336197  -0.443584
    30  H    0.290910  -0.000073  -0.006908   0.029071  -0.443584   2.099820
    31  H    0.303467  -0.000429   0.008818  -0.050662  -0.102227  -0.441728
              31
     1  C   -0.038719
     2  C    0.059319
     3  C    0.002872
     4  C   -0.000387
     5  C   -0.009748
     6  C    0.002795
     7  C    0.049805
     8  H   -0.000522
     9  H   -0.000384
    10  H    0.002350
    11  C   -0.000166
    12  C   -0.000044
    13  C    0.000006
    14  H    0.000025
    15  H   -0.000006
    16  H    0.000006
    17  H    0.000015
    18  O    0.000000
    19  O   -0.000018
    20  H    0.000051
    21  C   -0.024553
    22  C   -0.019946
    23  C   -0.063577
    24  O    0.087946
    25  C    0.303467
    26  H   -0.000429
    27  H    0.008818
    28  H   -0.050662
    29  H   -0.102227
    30  H   -0.441728
    31  H    1.332125
 Mulliken charges:
               1
     1  C   -0.468801
     2  C    0.084464
     3  C    2.658463
     4  C   -0.896410
     5  C   -0.056698
     6  C    1.369924
     7  C    1.556531
     8  H   -0.872772
     9  H   -0.957667
    10  H   -0.795679
    11  C    0.322040
    12  C    0.827645
    13  C    0.165574
    14  H   -0.462632
    15  H   -0.184701
    16  H   -0.149160
    17  H   -0.178264
    18  O   -0.225672
    19  O   -0.247073
    20  H    0.172995
    21  C   -0.285137
    22  C   -1.516629
    23  C    2.563113
    24  O   -0.249302
    25  C    0.863235
    26  H   -0.789964
    27  H   -0.698087
    28  H   -0.993739
    29  H   -0.093211
    30  H   -0.365899
    31  H   -0.096485
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.468801
     2  C    0.084464
     3  C    1.785691
     4  C   -0.896410
     5  C   -1.014365
     6  C    0.574245
     7  C    0.766567
    11  C   -0.140592
    12  C    0.315519
    13  C    0.165574
    18  O   -0.225672
    19  O   -0.074078
    21  C   -0.983225
    22  C   -1.516629
    23  C    1.569375
    24  O   -0.249302
    25  C    0.307639
 Electronic spatial extent (au):  <R**2>=           5500.9538
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -5.2530    Y=              0.3805    Z=             -1.7367  Tot=              5.5457
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -116.4418   YY=            -88.7556   ZZ=           -106.0062
   XY=             13.7491   XZ=            -10.9593   YZ=              1.3570
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.7073   YY=             14.9790   ZZ=             -2.2716
   XY=             13.7491   XZ=            -10.9593   YZ=              1.3570
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=           -211.6800  YYY=              2.0579  ZZZ=              3.8729  XYY=            -12.2018
  XXY=             -7.6311  XXZ=            -42.8250  XZZ=             -4.4638  YZZ=             -0.1159
  YYZ=              1.9217  XYZ=              6.0392
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6477.4522 YYYY=           -682.9479 ZZZZ=           -493.0092 XXXY=            374.7257
 XXXZ=           -221.0605 YYYX=             -7.3865 YYYZ=              2.9981 ZZZX=            -11.1748
 ZZZY=             -0.1080 XXYY=          -1040.6327 XXZZ=          -1147.6658 YYZZ=           -215.8852
 XXYZ=             14.8311 YYXZ=              0.2807 ZZXY=             14.2576
 N-N= 1.134219035632D+03 E-N=-4.055040467061D+03  KE= 7.624558763651D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 02:37:17 2021, MaxMem=  5368709120 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.05154310D+00 1.44098662D-01-6.12924232D-01
 Polarizability= 2.76001193D+02-6.98195046D+00 1.60134810D+02
                -1.23090949D+01 1.86295908D+00 1.11988278D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        6.4811    6.4771       -4.3892   -4.3798
 2     -6.4811   -6.4771       -1.0231   -1.0254      -62.0879  -62.0628
 3      4.3892    4.3798       87.5219   87.4968        1.0229    1.0254
 4      1.0231    1.0254        0.0000    0.0000        4.3729    4.3798
 5    -25.4340  -25.4340       -4.3729   -4.3798        6.4661    6.4771
 6     -1.0229   -1.0254       -6.4661   -6.4771       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000      -19.4313  -19.4313      -13.1395  -13.1395
 2      3.0763    3.0763       -0.0000    0.0000      -13.1395  -13.1395
 3      3.0763    3.0763      -19.4313  -19.4313       -0.0000    0.0000
 4    -19.4313  -19.4313       -3.0763   -3.0763     -186.1884 -186.1884
 5     13.1395   13.1395      262.4904  262.4904        3.0763    3.0763
 6    -76.3020  -76.3020      -13.1395  -13.1395       19.4313   19.4313
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5299    0.0000      -25.5620  -25.9084       17.5576   17.5194
 2     26.1950   25.9084        4.0733    4.1018      246.9970  248.2512
 3    -17.4856  -17.5194     -350.5738 -349.9872       -4.2580   -4.1018
 4     -4.1266   -4.1018       -0.0766    0.0000      -17.8982  -17.5194
 5    102.0221  101.7360       17.5443   17.5194      -26.1451  -25.9084
 6      4.2574    4.1018       26.4406   25.9084        0.1078    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1936    0.0000       78.1760   78.2615      -19.6901  -19.3729
 2    -77.1334  -78.2615       96.7982   97.5481       -7.6910   -7.3689
 3     20.2907   19.3729        1.2593    0.4093      -99.1903  -97.5481
 4    -97.5335  -97.5481        0.4490    0.0000       19.1794   19.3729
 5      6.5709    6.9596      -19.7536  -19.3729       76.6772   78.2615
 6     97.6573   97.5481      -78.4021  -78.2615        0.0551    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -96.7580  -97.4645       66.7355   66.1117       11.1097   11.2376
 2   -238.4104 -238.3427      107.3082  106.4182       11.4679   11.2376
 3   -238.0400 -238.3427       67.1271   66.1117       36.5265   36.5456
 4    -39.9759  -40.3065      140.9006  140.8783       -8.1021   -7.4955
 5     25.6906   25.3080       -0.9712    0.0360     -142.2748 -140.8783
 6      8.4605    7.4595      -25.1948  -25.3080       38.5879   40.3065
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4325   -2.8268   -0.0005    0.0007    0.0007    2.9090
 Low frequencies ---   28.5925   40.9996   45.5087
 Diagonal vibrational polarizability:
       64.2976957      99.7890273      83.6611673
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     28.5920                40.9969                45.5086
 Red. masses --      5.3904                 8.0286                 4.5467
 Frc consts  --      0.0026                 0.0080                 0.0055
 IR Inten    --      2.3576                 6.7175                 0.4206
 RamAct Fr= 1--      4.0305                 1.0509                 2.3209
  Dep-P Fr= 1--      0.7493                 0.7133                 0.7495
  Dep-U Fr= 1--      0.8567                 0.8327                 0.8568
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.5755                 0.1458                 0.3314
 AlphaG Fr= 1--      0.0009                 0.0096                -0.0012
 Gamma2 Fr= 1--      0.4421                -0.8307                 0.8612
 Delta2 Fr= 1--      0.2290                -0.4203                 0.0956
 Raman1 Fr= 1--      16.122                  4.204                  9.284
 ROA1   Fr= 1--      49.768                -93.194                 85.736
 CID1   Fr= 1--       3.087                -22.170                  9.235
 Raman2 Fr= 1--       6.906                  1.750                  3.977
 ROA2   Fr= 1--       8.777                -16.574                 19.904
 CID2   Fr= 1--       1.271                 -9.471                  5.004
 Raman3 Fr= 1--      13.812                  3.500                  7.955
 ROA3   Fr= 1--      49.768                -93.194                 85.736
 CID3   Fr= 1--       3.603                -26.625                 10.778
 RC180  Fr= 1--       0.713                  0.665                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.01  -0.02   0.03    -0.00   0.02  -0.12
     2   6    -0.00   0.02   0.09    -0.03  -0.01   0.04     0.01   0.02  -0.08
     3   6    -0.03   0.04   0.03    -0.00  -0.04   0.03    -0.00   0.03  -0.10
     4   6    -0.01   0.05   0.12    -0.01  -0.05   0.04     0.01   0.04  -0.05
     5   6     0.02   0.04   0.21    -0.04  -0.05   0.06     0.02   0.03  -0.05
     6   6     0.02   0.03   0.21    -0.04  -0.03   0.06     0.02   0.02  -0.06
     7   6    -0.05   0.02  -0.12     0.01  -0.00   0.01    -0.01   0.02  -0.16
     8   1    -0.04   0.05  -0.04     0.01  -0.05   0.02    -0.01   0.03  -0.10
     9   1     0.03   0.05   0.29    -0.05  -0.06   0.06     0.03   0.04  -0.02
    10   1     0.04   0.02   0.28    -0.05  -0.03   0.08     0.03   0.02  -0.04
    11   6    -0.01   0.06   0.06    -0.02  -0.06  -0.01     0.01   0.04   0.05
    12   6    -0.12   0.18  -0.03    -0.05  -0.11  -0.01     0.08   0.14   0.04
    13   6     0.06  -0.08  -0.05     0.08   0.06  -0.02    -0.05  -0.06   0.05
    14   1    -0.01   0.05   0.16    -0.03  -0.05  -0.08     0.02   0.04   0.14
    15   1    -0.11   0.16  -0.08    -0.06  -0.11  -0.05     0.09   0.11   0.13
    16   1    -0.17   0.28   0.05    -0.08  -0.15  -0.02     0.14   0.22   0.05
    17   1    -0.15   0.19  -0.14    -0.06  -0.11   0.03     0.05   0.14  -0.05
    18   8     0.03  -0.14  -0.18     0.26   0.48  -0.03    -0.02   0.00   0.08
    19   8     0.17  -0.14   0.02    -0.04  -0.33  -0.03    -0.14  -0.23   0.03
    20   1     0.18  -0.08   0.12    -0.13  -0.59  -0.04    -0.14  -0.24  -0.00
    21   6    -0.05   0.00  -0.15     0.00   0.02  -0.01    -0.01   0.01  -0.10
    22   6    -0.02  -0.01  -0.06    -0.02   0.03  -0.01     0.01   0.00  -0.01
    23   6    -0.00   0.00   0.06    -0.03   0.01   0.02     0.02   0.01  -0.02
    24   8    -0.03  -0.02  -0.11    -0.03   0.05  -0.05     0.02  -0.01   0.08
    25   6    -0.00  -0.03  -0.03    -0.05   0.06  -0.07     0.05  -0.02   0.29
    26   1    -0.07   0.02  -0.19     0.03  -0.01   0.01    -0.02   0.02  -0.21
    27   1    -0.06  -0.01  -0.25     0.01   0.03  -0.03    -0.01   0.00  -0.11
    28   1     0.02  -0.00   0.13    -0.05   0.02   0.03     0.03   0.00   0.04
    29   1     0.05  -0.10   0.02    -0.03   0.06  -0.06    -0.04  -0.12   0.32
    30   1    -0.01  -0.04  -0.10    -0.06   0.09  -0.11     0.06  -0.03   0.39
    31   1    -0.04   0.05   0.03    -0.10   0.05  -0.06     0.15   0.08   0.31
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.1629               127.4601               139.0871
 Red. masses --      4.0011                 4.4316                 4.0576
 Frc consts  --      0.0218                 0.0424                 0.0462
 IR Inten    --      2.9566                 0.3348                 0.2755
 RamAct Fr= 1--      2.4630                 0.3345                 0.5115
  Dep-P Fr= 1--      0.7197                 0.2859                 0.7497
  Dep-U Fr= 1--      0.8370                 0.4447                 0.8569
 Alpha2 Fr= 1--      0.0013                 0.0036                 0.0000
 Beta2  Fr= 1--      0.3436                 0.0248                 0.0731
 AlphaG Fr= 1--      0.0010                 0.0137                -0.0004
 Gamma2 Fr= 1--     -0.1417                 0.1657                 1.1297
 Delta2 Fr= 1--      0.3283                -0.3163                 0.9502
 Raman1 Fr= 1--       9.852                  1.338                  2.046
 ROA1   Fr= 1--      -3.101                  5.790                138.859
 CID1   Fr= 1--      -0.315                  4.327                 67.863
 Raman2 Fr= 1--       4.123                  0.297                  0.877
 ROA2   Fr= 1--      -6.027                  6.508                 19.511
 CID2   Fr= 1--      -1.462                 21.877                 22.254
 Raman3 Fr= 1--       8.246                  0.595                  1.753
 ROA3   Fr= 1--      -3.101                  5.790                138.859
 CID3   Fr= 1--      -0.376                  9.732                 79.192
 RC180  Fr= 1--       0.674                 -0.111                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.04    -0.02  -0.08  -0.13     0.03  -0.10   0.09
     2   6    -0.03  -0.02  -0.10    -0.04  -0.07  -0.10     0.01  -0.09   0.12
     3   6    -0.00  -0.04   0.13    -0.02  -0.09  -0.08     0.01  -0.09   0.02
     4   6    -0.01  -0.04   0.09    -0.00  -0.08   0.03     0.01  -0.08  -0.07
     5   6    -0.03  -0.03  -0.04    -0.01  -0.08   0.02     0.02  -0.08  -0.06
     6   6    -0.04  -0.02  -0.13    -0.03  -0.07  -0.06     0.02  -0.09   0.06
     7   6    -0.00  -0.02   0.04     0.01  -0.05  -0.13     0.06  -0.06   0.06
     8   1     0.01  -0.04   0.21    -0.03  -0.08  -0.10     0.00  -0.09   0.03
     9   1    -0.04  -0.04  -0.08    -0.01  -0.09   0.08     0.01  -0.08  -0.13
    10   1    -0.05  -0.02  -0.24    -0.02  -0.07  -0.05     0.03  -0.09   0.08
    11   6    -0.01  -0.02   0.06    -0.01   0.01   0.08    -0.01   0.03  -0.04
    12   6    -0.06  -0.01   0.03     0.03   0.16   0.04     0.10   0.21  -0.05
    13   6     0.07   0.02   0.02     0.05   0.02   0.04    -0.04   0.03  -0.03
    14   1    -0.04  -0.02   0.04    -0.10   0.01   0.15    -0.11   0.04   0.05
    15   1    -0.07   0.05  -0.03     0.01   0.27   0.05     0.08   0.30   0.04
    16   1    -0.13  -0.06   0.05    -0.02   0.18   0.08     0.12   0.27  -0.03
    17   1     0.00  -0.02   0.06     0.13   0.16  -0.04     0.19   0.22  -0.18
    18   8     0.07   0.03  -0.04     0.05   0.03  -0.01    -0.04   0.02   0.02
    19   8     0.16   0.08   0.06     0.13   0.06   0.07    -0.09   0.04  -0.05
    20   1     0.15   0.07   0.11     0.12   0.05   0.12    -0.08   0.04  -0.09
    21   6    -0.01  -0.00  -0.04     0.02  -0.02  -0.01     0.05  -0.02  -0.02
    22   6    -0.03   0.00  -0.12    -0.01  -0.01   0.07     0.02  -0.01  -0.01
    23   6    -0.05  -0.00  -0.17    -0.05  -0.04  -0.03    -0.01  -0.05   0.12
    24   8    -0.03   0.02  -0.12    -0.00   0.06   0.24    -0.00   0.08  -0.17
    25   6    -0.03   0.03   0.24    -0.13   0.11  -0.10    -0.10   0.13   0.05
    26   1     0.02  -0.02   0.13     0.04  -0.06  -0.18     0.10  -0.08   0.05
    27   1    -0.00   0.00  -0.02     0.04  -0.00   0.04     0.07  -0.00  -0.09
    28   1    -0.06   0.00  -0.25    -0.08  -0.03   0.00    -0.05  -0.04   0.14
    29   1    -0.18  -0.18   0.32    -0.21   0.35  -0.25    -0.04  -0.09   0.19
    30   1    -0.01   0.05   0.39    -0.12   0.19  -0.03    -0.10   0.23  -0.08
    31   1     0.11   0.22   0.30    -0.16  -0.17  -0.27    -0.23   0.28   0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    187.7822               209.6128               213.2491
 Red. masses --      3.2557                 1.0819                 3.1635
 Frc consts  --      0.0676                 0.0280                 0.0848
 IR Inten    --      0.9679                 0.5582                 2.5538
 RamAct Fr= 1--      0.1276                 0.2490                 6.6131
  Dep-P Fr= 1--      0.1132                 0.4581                 0.3053
  Dep-U Fr= 1--      0.2033                 0.6284                 0.4678
 Alpha2 Fr= 1--      0.0022                 0.0015                 0.0667
 Beta2  Fr= 1--      0.0043                 0.0261                 0.5156
 AlphaG Fr= 1--      0.0015                 0.0023                -0.0151
 Gamma2 Fr= 1--     -0.2294                -0.1877                -0.7246
 Delta2 Fr= 1--      0.0068                -0.0670                -0.3973
 Raman1 Fr= 1--       0.510                  0.996                 26.452
 ROA1   Fr= 1--     -21.810                -20.163                -82.271
 CID1   Fr= 1--     -42.734                -20.242                 -3.110
 Raman2 Fr= 1--       0.052                  0.313                  6.187
 ROA2   Fr= 1--      -5.561                 -3.968                -14.211
 CID2   Fr= 1--    -107.181                -12.680                 -2.297
 Raman3 Fr= 1--       0.104                  0.626                 12.375
 ROA3   Fr= 1--     -21.810                -20.163                -82.271
 CID3   Fr= 1--    -210.188                -32.213                 -6.648
 RC180  Fr= 1--      -0.593                  0.257                 -0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.08    -0.00   0.00  -0.01     0.03  -0.02   0.06
     2   6     0.01  -0.02  -0.10     0.00   0.00  -0.01     0.01  -0.01   0.01
     3   6    -0.01  -0.01  -0.13    -0.00  -0.00  -0.02     0.02  -0.06   0.12
     4   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.09   0.06
     5   6     0.04  -0.01   0.22     0.00  -0.00   0.02    -0.02  -0.09   0.02
     6   6     0.03  -0.02   0.12    -0.00   0.00   0.01    -0.03  -0.05   0.01
     7   6     0.03  -0.02   0.10     0.00   0.00   0.01     0.07   0.02  -0.03
     8   1    -0.02  -0.00  -0.22    -0.00  -0.00  -0.04     0.07  -0.08   0.15
     9   1     0.07  -0.01   0.44     0.00  -0.00   0.04    -0.03  -0.09  -0.01
    10   1     0.05  -0.03   0.23    -0.00   0.00   0.03    -0.07  -0.04  -0.02
    11   6    -0.00   0.02  -0.02    -0.01   0.01   0.00    -0.06  -0.02   0.00
    12   6    -0.03   0.03  -0.04     0.03   0.00   0.02    -0.15   0.08  -0.07
    13   6    -0.03   0.01  -0.02    -0.01   0.01  -0.00    -0.06   0.01  -0.01
    14   1    -0.01   0.02  -0.01    -0.03   0.02  -0.01    -0.12  -0.02   0.03
    15   1     0.00  -0.09   0.00    -0.10   0.49  -0.21    -0.17   0.16  -0.18
    16   1     0.04   0.16  -0.02    -0.32  -0.44  -0.00    -0.28   0.10   0.01
    17   1    -0.17   0.05  -0.12     0.54  -0.05   0.30    -0.09   0.08  -0.13
    18   8    -0.03   0.00   0.01    -0.02  -0.01  -0.03    -0.05   0.03   0.02
    19   8    -0.06   0.00  -0.03    -0.01  -0.02   0.00    -0.09   0.04  -0.03
    20   1    -0.06   0.01  -0.06    -0.00  -0.01   0.02    -0.10   0.00  -0.06
    21   6     0.04  -0.01   0.18     0.00   0.01   0.02     0.05   0.06  -0.10
    22   6     0.02  -0.01  -0.05     0.00   0.01   0.00     0.05   0.06  -0.03
    23   6    -0.00  -0.01  -0.20     0.00   0.01  -0.01     0.02   0.04  -0.04
    24   8     0.02   0.02  -0.05     0.00   0.00  -0.01     0.07   0.02   0.07
    25   6    -0.01   0.03   0.04     0.01  -0.00   0.00     0.19  -0.03  -0.03
    26   1     0.05  -0.02   0.23     0.01   0.00   0.02     0.11   0.00  -0.06
    27   1     0.06  -0.02   0.38     0.01   0.01   0.04     0.06   0.07  -0.17
    28   1    -0.02  -0.01  -0.30    -0.00   0.01  -0.01    -0.01   0.05  -0.05
    29   1    -0.20   0.03  -0.01     0.03  -0.01   0.01     0.03   0.15  -0.18
    30   1     0.01   0.05   0.24     0.01  -0.01  -0.01     0.21  -0.16   0.25
    31   1     0.14   0.02  -0.04     0.02   0.01   0.01     0.46  -0.15  -0.22
                     10                     11                     12
                      A                      A                      A
 Frequencies --    220.1036               241.1905               284.6901
 Red. masses --      2.6540                 1.6417                 2.7693
 Frc consts  --      0.0758                 0.0563                 0.1322
 IR Inten    --      1.9403                 0.3960                 1.8887
 RamAct Fr= 1--      1.9907                 1.4226                 2.1144
  Dep-P Fr= 1--      0.6823                 0.1875                 0.4533
  Dep-U Fr= 1--      0.8111                 0.3158                 0.6238
 Alpha2 Fr= 1--      0.0024                 0.0200                 0.0128
 Beta2  Fr= 1--      0.2691                 0.0749                 0.2198
 AlphaG Fr= 1--     -0.0026                -0.0065                 0.0063
 Gamma2 Fr= 1--     -1.5422                 0.2401                 0.6079
 Delta2 Fr= 1--     -0.4974                 0.0109                -0.0131
 Raman1 Fr= 1--       7.963                  5.690                  8.458
 ROA1   Fr= 1--    -163.969                 23.400                 57.939
 CID1   Fr= 1--     -20.592                  4.112                  6.850
 Raman2 Fr= 1--       3.229                  0.899                  2.638
 ROA2   Fr= 1--     -33.035                  5.676                 14.695
 CID2   Fr= 1--     -10.230                  6.316                  5.571
 Raman3 Fr= 1--       6.459                  1.797                  5.276
 ROA3   Fr= 1--    -163.969                 23.400                 57.939
 CID3   Fr= 1--     -25.387                 13.020                 10.982
 RC180  Fr= 1--       0.622                 -0.368                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.01   0.02   0.04     0.00   0.01   0.08
     2   6    -0.05   0.03  -0.02    -0.03   0.02   0.05    -0.02   0.02  -0.04
     3   6    -0.01  -0.05  -0.11    -0.00  -0.01  -0.00     0.02  -0.01   0.14
     4   6    -0.04  -0.09  -0.03    -0.00  -0.02  -0.04     0.02  -0.02   0.03
     5   6    -0.08  -0.08  -0.00    -0.04  -0.01  -0.01    -0.01  -0.01   0.09
     6   6    -0.09  -0.01  -0.01    -0.04   0.01   0.06    -0.02   0.01   0.06
     7   6     0.00   0.04   0.02    -0.03   0.01   0.02    -0.02   0.01   0.01
     8   1     0.03  -0.06  -0.15     0.01  -0.01  -0.01     0.04  -0.02   0.18
     9   1    -0.11  -0.10   0.03    -0.06  -0.03  -0.02    -0.02  -0.03   0.14
    10   1    -0.15   0.00   0.02    -0.05   0.02   0.09    -0.03   0.02   0.09
    11   6    -0.03  -0.06   0.02     0.02  -0.02  -0.03     0.03  -0.02  -0.06
    12   6     0.05   0.06   0.02     0.16   0.01   0.02     0.15   0.01  -0.02
    13   6     0.01  -0.02   0.02     0.02  -0.01  -0.02     0.02  -0.00  -0.05
    14   1    -0.08  -0.06   0.07    -0.00  -0.02  -0.01     0.01  -0.01  -0.05
    15   1     0.06   0.04   0.13     0.16   0.03   0.17     0.14   0.06   0.10
    16   1     0.13   0.18   0.03     0.26   0.03  -0.03     0.23   0.01  -0.07
    17   1     0.02   0.07  -0.12     0.19   0.01  -0.01     0.21   0.01  -0.04
    18   8     0.03   0.02  -0.00     0.02  -0.00  -0.02     0.01  -0.01  -0.00
    19   8     0.07   0.03   0.04     0.03   0.00  -0.01    -0.04   0.01  -0.09
    20   1     0.05  -0.00   0.07     0.03   0.00  -0.01    -0.04   0.01  -0.14
    21   6    -0.00   0.07   0.10    -0.04   0.02  -0.02    -0.03   0.01  -0.09
    22   6    -0.02   0.07   0.04    -0.04   0.02  -0.02    -0.04   0.01  -0.06
    23   6    -0.03   0.07   0.04    -0.03   0.03   0.00    -0.04   0.02  -0.16
    24   8    -0.02  -0.01  -0.06    -0.04  -0.01  -0.02    -0.02  -0.02   0.15
    25   6     0.16  -0.09  -0.01     0.01  -0.04  -0.01    -0.02  -0.03   0.01
    26   1     0.03   0.03   0.04    -0.03   0.02   0.02    -0.03   0.01   0.03
    27   1     0.02   0.09   0.17    -0.03   0.03  -0.04    -0.03   0.02  -0.12
    28   1    -0.04   0.07   0.06    -0.03   0.03  -0.04    -0.03   0.02  -0.17
    29   1     0.53  -0.21   0.16    -0.38   0.13  -0.21     0.38  -0.09   0.15
    30   1     0.12  -0.24  -0.37     0.05  -0.10   0.51    -0.06  -0.03  -0.47
    31   1    -0.01   0.12   0.21     0.41  -0.18  -0.29    -0.36   0.04   0.22
                     13                     14                     15
                      A                      A                      A
 Frequencies --    301.0332               382.7621               400.5402
 Red. masses --      4.1729                 4.4356                 5.1402
 Frc consts  --      0.2228                 0.3829                 0.4859
 IR Inten    --     10.1313                 5.9554                 1.1615
 RamAct Fr= 1--      5.3252                 1.4691                 0.7860
  Dep-P Fr= 1--      0.1596                 0.5392                 0.7189
  Dep-U Fr= 1--      0.2753                 0.7006                 0.8364
 Alpha2 Fr= 1--      0.0803                 0.0060                 0.0004
 Beta2  Fr= 1--      0.2443                 0.1715                 0.1096
 AlphaG Fr= 1--      0.0815                 0.0018                -0.0021
 Gamma2 Fr= 1--      0.9750                -0.9118                 1.3015
 Delta2 Fr= 1--      0.3164                 0.0711                 0.5043
 Raman1 Fr= 1--      21.301                  5.877                  3.144
 ROA1   Fr= 1--     103.730                -85.257                141.081
 CID1   Fr= 1--       4.870                -14.508                 44.872
 Raman2 Fr= 1--       2.932                  2.059                  1.315
 ROA2   Fr= 1--      20.869                -22.452                 27.201
 CID2   Fr= 1--       7.118                -10.907                 20.687
 Raman3 Fr= 1--       5.864                  4.117                  2.630
 ROA3   Fr= 1--     103.730                -85.257                141.081
 CID3   Fr= 1--      17.690                -20.708                 53.647
 RC180  Fr= 1--      -0.449                  0.401                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.07  -0.02    -0.08  -0.17  -0.01     0.02   0.04  -0.09
     2   6    -0.01   0.07   0.00    -0.10  -0.16  -0.01     0.01   0.05  -0.10
     3   6     0.06   0.02  -0.03    -0.10  -0.01   0.02     0.05  -0.03   0.13
     4   6     0.05  -0.02   0.01     0.04   0.12   0.04     0.03  -0.06   0.24
     5   6    -0.02   0.00  -0.00     0.04   0.11   0.03     0.01  -0.06   0.19
     6   6    -0.03   0.06  -0.01     0.05  -0.05  -0.05    -0.04   0.02  -0.21
     7   6    -0.04   0.03  -0.00    -0.01  -0.11  -0.02    -0.00   0.03  -0.13
     8   1     0.09   0.01  -0.03    -0.28   0.05   0.04     0.11  -0.05   0.11
     9   1    -0.05  -0.03  -0.01     0.09   0.15   0.04    -0.02  -0.09   0.27
    10   1    -0.06   0.07  -0.01     0.22  -0.11  -0.10    -0.11   0.04  -0.40
    11   6     0.10  -0.12  -0.02     0.10   0.10  -0.02     0.01   0.02   0.02
    12   6    -0.08   0.08  -0.19     0.02  -0.02  -0.02     0.07   0.00   0.08
    13   6     0.12  -0.10   0.03     0.10   0.02  -0.02     0.02   0.04  -0.07
    14   1     0.14  -0.12   0.07     0.15   0.10  -0.05    -0.06   0.03  -0.01
    15   1    -0.14   0.31  -0.44     0.03  -0.07  -0.09     0.08  -0.03   0.21
    16   1    -0.38   0.07  -0.02    -0.00  -0.09  -0.04     0.19  -0.00   0.00
    17   1     0.11   0.07  -0.29    -0.03  -0.02   0.10     0.06   0.00   0.10
    18   8     0.16  -0.04   0.25     0.07  -0.07   0.09    -0.01  -0.02  -0.08
    19   8    -0.02   0.05  -0.06    -0.02  -0.02  -0.09    -0.11   0.02  -0.16
    20   1    -0.02  -0.02  -0.21     0.02   0.06  -0.17    -0.08   0.06  -0.28
    21   6    -0.04  -0.01   0.02    -0.03   0.04   0.02     0.01   0.00   0.10
    22   6    -0.06  -0.02   0.02    -0.08   0.07   0.04     0.01  -0.00   0.16
    23   6    -0.01   0.03   0.03    -0.14  -0.03   0.05     0.04   0.03   0.16
    24   8    -0.06  -0.05  -0.02    -0.09   0.13  -0.01    -0.01  -0.04  -0.12
    25   6    -0.10  -0.05   0.01     0.17   0.03  -0.02    -0.06  -0.03  -0.01
    26   1    -0.10   0.05  -0.00     0.10  -0.15  -0.05    -0.04   0.04  -0.24
    27   1    -0.04  -0.01   0.04     0.04   0.10   0.02     0.01   0.01   0.10
    28   1     0.04   0.01   0.03    -0.24   0.00   0.06     0.06   0.02   0.17
    29   1    -0.18  -0.05  -0.01     0.29   0.11  -0.03    -0.20  -0.07  -0.02
    30   1    -0.09  -0.01   0.07     0.15  -0.24   0.01    -0.04   0.02   0.14
    31   1    -0.07  -0.06  -0.02     0.34   0.12  -0.04     0.03  -0.02  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.4210               453.9502               488.1798
 Red. masses --      3.3123                 5.0447                 2.5703
 Frc consts  --      0.3336                 0.6125                 0.3609
 IR Inten    --      0.0466                 9.4810                13.2523
 RamAct Fr= 1--      2.5305                 3.9850                 0.2718
  Dep-P Fr= 1--      0.7461                 0.0972                 0.6347
  Dep-U Fr= 1--      0.8546                 0.1771                 0.7766
 Alpha2 Fr= 1--      0.0002                 0.0703                 0.0006
 Beta2  Fr= 1--      0.3604                 0.1176                 0.0352
 AlphaG Fr= 1--      0.0060                -0.1456                -0.0010
 Gamma2 Fr= 1--      0.4707                -1.2881                -0.1540
 Delta2 Fr= 1--      0.0033                -0.4458                -0.0050
 Raman1 Fr= 1--      10.122                 15.940                  1.087
 ROA1   Fr= 1--      45.294               -137.920                -14.947
 CID1   Fr= 1--       4.475                 -8.652                -13.750
 Raman2 Fr= 1--       4.325                  1.411                  0.422
 ROA2   Fr= 1--      11.270                -27.347                 -3.656
 CID2   Fr= 1--       2.606                -19.375                 -8.662
 Raman3 Fr= 1--       8.650                  2.823                  0.844
 ROA3   Fr= 1--      45.294               -137.920                -14.947
 CID3   Fr= 1--       5.236                -48.857                -17.706
 RC180  Fr= 1--       0.709                 -0.646                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.08    -0.11   0.05   0.00     0.02  -0.00   0.21
     2   6    -0.00   0.00  -0.04    -0.03  -0.00  -0.02     0.01  -0.00   0.18
     3   6    -0.01   0.00  -0.17    -0.13   0.09   0.04    -0.01   0.01  -0.11
     4   6     0.00  -0.01   0.02    -0.13   0.06   0.03     0.00   0.00   0.03
     5   6     0.01  -0.01   0.14    -0.10   0.07   0.05     0.00   0.00   0.07
     6   6    -0.02   0.00  -0.17    -0.07   0.02  -0.02    -0.01   0.00  -0.11
     7   6     0.02  -0.00   0.24    -0.11   0.04   0.00    -0.01   0.00  -0.10
     8   1    -0.03   0.00  -0.39    -0.15   0.10   0.05    -0.04   0.01  -0.44
     9   1     0.02  -0.01   0.29    -0.06   0.11   0.07    -0.00   0.00  -0.00
    10   1    -0.04   0.01  -0.34    -0.08   0.02  -0.03    -0.04   0.01  -0.42
    11   6     0.00   0.00   0.00    -0.07  -0.16  -0.01     0.00  -0.00  -0.02
    12   6     0.00   0.00   0.00     0.07   0.01  -0.01     0.01  -0.00  -0.03
    13   6     0.00   0.01  -0.00    -0.01  -0.14  -0.03    -0.01   0.01   0.01
    14   1    -0.00   0.00  -0.00     0.04  -0.17   0.09    -0.00  -0.00  -0.04
    15   1     0.00   0.00   0.00     0.03   0.18   0.17     0.01   0.01  -0.03
    16   1     0.00   0.00   0.00     0.13   0.04  -0.03     0.01   0.01  -0.03
    17   1    -0.00   0.00   0.00     0.25   0.00  -0.15     0.02  -0.00  -0.05
    18   8    -0.00  -0.00  -0.00     0.06   0.02   0.03    -0.01   0.00   0.01
    19   8    -0.00  -0.01  -0.00     0.02   0.06  -0.05     0.01  -0.02   0.02
    20   1     0.01   0.03  -0.00    -0.05  -0.18  -0.11     0.03   0.08   0.06
    21   6    -0.02   0.01  -0.20    -0.02  -0.12   0.00     0.00  -0.01   0.05
    22   6    -0.01   0.00  -0.09     0.14  -0.14   0.00     0.01  -0.01   0.08
    23   6     0.01   0.00   0.12     0.05  -0.18   0.01    -0.01  -0.00  -0.12
    24   8     0.00  -0.00   0.05     0.18   0.08  -0.02     0.00   0.00  -0.01
    25   6    -0.00  -0.00   0.00     0.14   0.17  -0.01     0.01   0.01   0.00
    26   1     0.04  -0.01   0.46    -0.17   0.06   0.01    -0.05   0.01  -0.46
    27   1    -0.03   0.01  -0.32    -0.19  -0.29   0.01    -0.02  -0.01  -0.13
    28   1     0.03  -0.00   0.34     0.11  -0.20   0.02    -0.04   0.00  -0.48
    29   1    -0.00   0.04  -0.02     0.12   0.15  -0.01     0.03  -0.02   0.02
    30   1    -0.00  -0.00   0.01     0.14   0.19   0.00     0.00   0.00  -0.04
    31   1    -0.01  -0.04  -0.02     0.14   0.15  -0.01    -0.01   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    498.2907               523.3692               533.2672
 Red. masses --      4.1577                 3.1269                 6.1066
 Frc consts  --      0.6082                 0.5046                 1.0231
 IR Inten    --      4.6455                20.6556                 5.4097
 RamAct Fr= 1--      3.0552                 0.9265                16.3985
  Dep-P Fr= 1--      0.5708                 0.7475                 0.2287
  Dep-U Fr= 1--      0.7268                 0.8555                 0.3723
 Alpha2 Fr= 1--      0.0103                 0.0000                 0.2061
 Beta2  Fr= 1--      0.3701                 0.1321                 1.0176
 AlphaG Fr= 1--      0.0040                -0.0067                -0.0589
 Gamma2 Fr= 1--     -1.4545                 1.8987                -1.7064
 Delta2 Fr= 1--     -0.7472                 0.1727                -0.2279
 Raman1 Fr= 1--      12.221                  3.706                 65.594
 ROA1   Fr= 1--    -163.543                187.799               -171.102
 CID1   Fr= 1--     -13.383                 50.675                 -2.609
 Raman2 Fr= 1--       4.441                  1.585                 12.211
 ROA2   Fr= 1--     -28.930                 44.186                -39.130
 CID2   Fr= 1--      -6.514                 27.875                 -3.204
 Raman3 Fr= 1--       8.882                  3.170                 24.422
 ROA3   Fr= 1--    -163.543                187.799               -171.102
 CID3   Fr= 1--     -18.413                 59.237                 -7.006
 RC180  Fr= 1--       0.454                  0.711                 -0.255
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.02    -0.03   0.07  -0.01    -0.18  -0.01   0.02
     2   6     0.00   0.02   0.11    -0.02   0.07  -0.03     0.09  -0.10  -0.04
     3   6    -0.03  -0.04  -0.12     0.02  -0.09   0.03    -0.18  -0.08   0.04
     4   6    -0.02  -0.05   0.03     0.03  -0.09  -0.02    -0.07  -0.03  -0.02
     5   6    -0.04  -0.06  -0.12    -0.01  -0.09   0.00     0.16  -0.10   0.00
     6   6    -0.04  -0.00   0.07    -0.04   0.05   0.00     0.16  -0.14  -0.03
     7   6    -0.02   0.05   0.03    -0.09   0.05   0.01    -0.17   0.12   0.01
     8   1    -0.00  -0.05  -0.21     0.10  -0.11   0.04    -0.17  -0.08   0.05
     9   1    -0.09  -0.08  -0.26    -0.09  -0.17   0.05     0.27  -0.01   0.04
    10   1    -0.10   0.02   0.04    -0.14   0.08   0.06     0.16  -0.14  -0.01
    11   6    -0.01   0.11   0.13     0.04   0.14  -0.08    -0.05   0.01  -0.06
    12   6    -0.10   0.03   0.23     0.01  -0.01  -0.08     0.03  -0.02  -0.05
    13   6     0.14   0.02  -0.04     0.06   0.18   0.01     0.02   0.00  -0.01
    14   1    -0.10   0.12   0.17    -0.14   0.16  -0.24    -0.05   0.01  -0.09
    15   1    -0.07  -0.10   0.19     0.03  -0.11  -0.15     0.03   0.01   0.03
    16   1    -0.06  -0.07   0.16     0.01  -0.05  -0.10     0.09  -0.04  -0.10
    17   1    -0.20   0.02   0.42    -0.10  -0.01   0.04     0.07  -0.02  -0.05
    18   8     0.12  -0.08   0.01    -0.03  -0.04   0.08     0.02  -0.02   0.09
    19   8    -0.06   0.02  -0.20     0.03  -0.12   0.04     0.05  -0.03   0.00
    20   1     0.02   0.17  -0.42     0.24   0.56   0.18     0.07   0.05   0.06
    21   6    -0.01   0.01  -0.01    -0.05  -0.09   0.00    -0.20   0.26   0.02
    22   6     0.04  -0.01  -0.08     0.01  -0.08   0.01     0.10   0.14   0.02
    23   6     0.02  -0.01  -0.06     0.01  -0.07   0.01     0.09   0.12   0.00
    24   8     0.07  -0.02   0.03     0.01   0.06  -0.01     0.16  -0.10  -0.02
    25   6    -0.00   0.01   0.00     0.06   0.07  -0.00    -0.06  -0.01   0.00
    26   1    -0.02   0.05   0.07    -0.19   0.08   0.03    -0.01   0.07  -0.03
    27   1    -0.05  -0.04   0.06    -0.14  -0.18   0.01    -0.27   0.19  -0.00
    28   1     0.02  -0.01  -0.10     0.11  -0.10   0.04    -0.14   0.19   0.02
    29   1    -0.01  -0.00   0.01     0.10   0.09  -0.01    -0.21  -0.10   0.01
    30   1    -0.00   0.09  -0.03     0.06  -0.00   0.00    -0.03   0.27   0.01
    31   1    -0.07  -0.02   0.01     0.11   0.09  -0.01    -0.20  -0.09   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    541.2006               580.8898               602.8317
 Red. masses --      4.3388                 1.3160                 2.7651
 Frc consts  --      0.7488                 0.2616                 0.5920
 IR Inten    --      6.1101                55.5290                 1.3165
 RamAct Fr= 1--      2.7206                 1.2410                 1.9280
  Dep-P Fr= 1--      0.6955                 0.5422                 0.5062
  Dep-U Fr= 1--      0.8204                 0.7032                 0.6722
 Alpha2 Fr= 1--      0.0026                 0.0050                 0.0092
 Beta2  Fr= 1--      0.3720                 0.1454                 0.2160
 AlphaG Fr= 1--      0.0147                 0.0792                -0.0038
 Gamma2 Fr= 1--      1.5530                 1.1885                -0.2275
 Delta2 Fr= 1--      0.2587                 0.2214                -0.1035
 Raman1 Fr= 1--      10.883                  4.964                  7.712
 ROA1   Fr= 1--     157.370                121.177                -25.153
 CID1   Fr= 1--      14.461                 24.411                 -3.262
 Raman2 Fr= 1--       4.464                  1.745                  2.592
 ROA2   Fr= 1--      35.203                 26.752                 -4.631
 CID2   Fr= 1--       7.886                 15.328                 -1.787
 Raman3 Fr= 1--       8.928                  3.491                  5.184
 ROA3   Fr= 1--     157.370                121.177                -25.153
 CID3   Fr= 1--      17.626                 34.715                 -4.852
 RC180  Fr= 1--       0.641                  0.406                  0.344
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07   0.00     0.01  -0.00  -0.01     0.02   0.00   0.10
     2   6     0.11   0.04   0.02     0.03  -0.01   0.00    -0.00   0.01  -0.16
     3   6     0.05  -0.05  -0.03     0.01   0.04   0.00     0.01   0.00   0.01
     4   6     0.06  -0.08   0.01    -0.02   0.02   0.02    -0.02  -0.00  -0.20
     5   6     0.20  -0.10  -0.03     0.01   0.02  -0.01     0.01  -0.01   0.01
     6   6     0.17   0.01  -0.01     0.03  -0.02   0.00     0.00  -0.00  -0.01
     7   6    -0.17  -0.01   0.02    -0.00  -0.03  -0.00     0.01  -0.01   0.05
     8   1     0.17  -0.08  -0.06     0.00   0.04  -0.02     0.04  -0.00   0.19
     9   1     0.20  -0.10  -0.07     0.05   0.05  -0.03     0.04  -0.02   0.41
    10   1     0.11   0.03  -0.03     0.05  -0.03   0.00     0.02  -0.01   0.36
    11   6     0.02  -0.08   0.07    -0.03  -0.09   0.03    -0.02   0.02   0.03
    12   6    -0.02  -0.00   0.05    -0.00  -0.00   0.01    -0.05   0.02   0.08
    13   6    -0.04  -0.07   0.01    -0.02  -0.05  -0.00     0.01  -0.05  -0.01
    14   1     0.05  -0.08   0.15     0.03  -0.09   0.04    -0.02   0.01   0.11
    15   1    -0.03   0.02   0.01    -0.02   0.07   0.06    -0.04  -0.02   0.04
    16   1    -0.07   0.05   0.11    -0.00   0.05   0.04    -0.07  -0.03   0.07
    17   1    -0.02   0.00  -0.02     0.06   0.00  -0.08    -0.09   0.02   0.15
    18   8    -0.01   0.03  -0.09     0.02   0.04  -0.02     0.04   0.00   0.01
    19   8    -0.04   0.07   0.00    -0.03  -0.04  -0.02     0.01   0.01  -0.03
    20   1    -0.18  -0.38  -0.09     0.29   0.92   0.02     0.05   0.11  -0.06
    21   6    -0.17  -0.07   0.01    -0.01  -0.00   0.00     0.00  -0.01  -0.06
    22   6    -0.09  -0.04  -0.01    -0.01   0.01  -0.02     0.01  -0.01   0.24
    23   6     0.04   0.01  -0.01     0.01   0.02   0.00     0.01   0.01  -0.02
    24   8    -0.14   0.14   0.02    -0.02   0.01   0.01    -0.02   0.01  -0.05
    25   6     0.08   0.08  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.30   0.03   0.04     0.00  -0.03   0.02    -0.03   0.00  -0.25
    27   1    -0.21  -0.11   0.03     0.01   0.02   0.04    -0.03   0.01  -0.54
    28   1     0.14  -0.02  -0.03     0.01   0.02   0.02    -0.00   0.01  -0.26
    29   1     0.23   0.16  -0.01     0.01   0.01  -0.00    -0.01  -0.02   0.01
    30   1     0.05  -0.20  -0.01    -0.00  -0.03  -0.00    -0.00  -0.03   0.02
    31   1     0.22   0.16  -0.02     0.01   0.00  -0.00     0.04   0.04   0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --    641.7999               682.4313               694.9994
 Red. masses --      5.1592                 5.2859                 3.7677
 Frc consts  --      1.2521                 1.4504                 1.0723
 IR Inten    --      1.3005                 3.6626                 9.0598
 RamAct Fr= 1--      1.2548                 1.1758                 0.0461
  Dep-P Fr= 1--      0.7018                 0.1936                 0.5949
  Dep-U Fr= 1--      0.8248                 0.3245                 0.7460
 Alpha2 Fr= 1--      0.0011                 0.0162                 0.0001
 Beta2  Fr= 1--      0.1725                 0.0636                 0.0057
 AlphaG Fr= 1--     -0.0131                -0.0312                 0.0024
 Gamma2 Fr= 1--      0.2110                 0.1926                -0.3810
 Delta2 Fr= 1--     -0.3007                -0.0531                -0.2137
 Raman1 Fr= 1--       5.019                  4.703                  0.184
 ROA1   Fr= 1--      10.638                 16.791                -43.415
 CID1   Fr= 1--       2.120                  3.570               -235.608
 Raman2 Fr= 1--       2.070                  0.763                  0.069
 ROA2   Fr= 1--       7.471                  5.048                 -7.434
 CID2   Fr= 1--       3.610                  6.615               -108.157
 Raman3 Fr= 1--       4.140                  1.526                  0.137
 ROA3   Fr= 1--      10.638                 16.791                -43.415
 CID3   Fr= 1--       2.570                 11.003               -315.817
 RC180  Fr= 1--       0.650                 -0.351                  0.492
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.03  -0.01    -0.06   0.02   0.07    -0.04   0.02  -0.11
     2   6     0.16   0.00   0.00    -0.06   0.03   0.04    -0.02   0.01  -0.03
     3   6     0.05   0.18   0.02    -0.07  -0.14   0.06    -0.06  -0.04  -0.06
     4   6    -0.15   0.02   0.01    -0.01  -0.03  -0.16    -0.00  -0.02   0.25
     5   6    -0.04  -0.05   0.02     0.16   0.00   0.06     0.08   0.01  -0.09
     6   6    -0.00  -0.18  -0.02     0.10   0.18  -0.09     0.08   0.08   0.10
     7   6     0.01  -0.12  -0.02     0.10   0.18  -0.10     0.08   0.10   0.12
     8   1     0.12   0.15  -0.02    -0.05  -0.14   0.13    -0.06  -0.05  -0.22
     9   1     0.10   0.09  -0.03     0.12  -0.05   0.28     0.05   0.02  -0.49
    10   1    -0.07  -0.15  -0.07     0.12   0.18  -0.09     0.09   0.07  -0.02
    11   6    -0.21   0.05  -0.10    -0.11   0.01  -0.04    -0.08  -0.04  -0.03
    12   6    -0.04   0.02   0.04    -0.05   0.02   0.07     0.01  -0.02  -0.03
    13   6    -0.00   0.04  -0.11    -0.09  -0.13  -0.09    -0.03   0.02  -0.05
    14   1    -0.29   0.06  -0.13    -0.06  -0.00   0.12    -0.08  -0.04  -0.09
    15   1    -0.03   0.06   0.35    -0.05   0.02   0.20    -0.01   0.08   0.19
    16   1     0.21  -0.10  -0.17     0.05  -0.08  -0.04     0.13   0.01  -0.09
    17   1     0.09   0.00   0.14    -0.02   0.01   0.18     0.15  -0.02  -0.11
    18   8    -0.02  -0.03   0.20    -0.01   0.05   0.11    -0.04   0.01   0.06
    19   8     0.15  -0.05  -0.09     0.10  -0.01  -0.07     0.05  -0.02  -0.04
    20   1     0.04  -0.28   0.13     0.10   0.08   0.13     0.03  -0.03   0.10
    21   6    -0.00  -0.07   0.01     0.15   0.01   0.06     0.08   0.01  -0.10
    22   6    -0.05  -0.00  -0.04    -0.02  -0.03  -0.16     0.01  -0.02   0.20
    23   6     0.12   0.11   0.00    -0.08  -0.12   0.05    -0.04  -0.07  -0.06
    24   8    -0.11   0.06   0.02    -0.07   0.01   0.03    -0.06   0.02  -0.02
    25   6    -0.01   0.00   0.00    -0.03  -0.06   0.00    -0.02  -0.04  -0.00
    26   1    -0.05  -0.10   0.03     0.13   0.17  -0.05     0.09   0.10   0.11
    27   1     0.08  -0.00   0.10     0.14  -0.03   0.35     0.04  -0.00  -0.41
    28   1     0.21   0.08   0.05    -0.03  -0.14   0.26    -0.04  -0.07  -0.31
    29   1     0.08   0.05  -0.00     0.03  -0.01  -0.01     0.01  -0.04   0.00
    30   1    -0.02  -0.14  -0.00    -0.03  -0.13  -0.00    -0.02  -0.10   0.00
    31   1     0.07   0.04  -0.01     0.01  -0.05  -0.01     0.03   0.00   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    748.6629               781.5258               791.4097
 Red. masses --      5.7687                 2.6690                 3.3700
 Frc consts  --      1.9050                 0.9605                 1.2436
 IR Inten    --      6.7702                 0.7127                 0.5641
 RamAct Fr= 1--     33.8177                 6.2659                21.4381
  Dep-P Fr= 1--      0.0554                 0.0901                 0.0901
  Dep-U Fr= 1--      0.1049                 0.1653                 0.1653
 Alpha2 Fr= 1--      0.6595                 0.1124                 0.3845
 Beta2  Fr= 1--      0.5912                 0.1726                 0.5906
 AlphaG Fr= 1--     -0.3066                -0.0839                 0.2640
 Gamma2 Fr= 1--     -1.5926                 0.6198                 1.4359
 Delta2 Fr= 1--      0.3543                 0.6251                -0.0422
 Raman1 Fr= 1--     135.271                 25.064                 85.752
 ROA1   Fr= 1--    -141.552                 79.502                136.497
 CID1   Fr= 1--      -1.046                  3.172                  1.592
 Raman2 Fr= 1--       7.095                  2.071                  7.087
 ROA2   Fr= 1--     -41.057                  9.873                 34.800
 CID2   Fr= 1--      -5.787                  4.767                  4.910
 Raman3 Fr= 1--      14.190                  4.142                 14.174
 ROA3   Fr= 1--    -141.552                 79.502                136.497
 CID3   Fr= 1--      -9.976                 19.192                  9.630
 RC180  Fr= 1--      -0.790                 -0.669                 -0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11   0.06     0.01  -0.04   0.20    -0.02  -0.06  -0.09
     2   6     0.05  -0.07  -0.03    -0.02   0.03  -0.20     0.02   0.07   0.11
     3   6    -0.08   0.12   0.00    -0.02  -0.03  -0.04    -0.08  -0.07   0.02
     4   6    -0.13   0.02  -0.04    -0.00  -0.01   0.09    -0.06  -0.02  -0.08
     5   6     0.01  -0.05  -0.02     0.01   0.03  -0.09     0.05   0.05   0.03
     6   6     0.04  -0.20  -0.03     0.03   0.09   0.05     0.04   0.19  -0.06
     7   6     0.09   0.28  -0.02    -0.00  -0.07  -0.03     0.01  -0.15   0.00
     8   1    -0.02   0.10   0.05    -0.07  -0.02  -0.35    -0.10  -0.06   0.26
     9   1     0.21   0.11   0.15    -0.00   0.01  -0.02     0.03   0.02   0.20
    10   1     0.04  -0.21   0.12     0.05   0.09   0.28     0.02   0.20   0.01
    11   6    -0.03  -0.05   0.01    -0.05  -0.06  -0.00    -0.12  -0.10  -0.02
    12   6     0.02  -0.03  -0.05    -0.01  -0.01   0.01    -0.04  -0.02   0.01
    13   6     0.18   0.15   0.14     0.04   0.07   0.01     0.12   0.14   0.07
    14   1    -0.12  -0.03  -0.22    -0.09  -0.05  -0.12    -0.23  -0.08  -0.27
    15   1    -0.00   0.07  -0.00    -0.04   0.10   0.13    -0.08   0.18   0.25
    16   1     0.02   0.08   0.00     0.03   0.07   0.02     0.07   0.12   0.02
    17   1     0.09  -0.02  -0.22     0.10  -0.01  -0.14     0.17  -0.01  -0.23
    18   8     0.09  -0.10  -0.10    -0.00  -0.02  -0.00     0.05  -0.07  -0.03
    19   8    -0.13   0.01   0.10    -0.01  -0.01  -0.00    -0.05  -0.01   0.04
    20   1    -0.10  -0.06  -0.28    -0.02  -0.06  -0.03    -0.05  -0.07  -0.16
    21   6     0.14   0.01   0.02     0.00  -0.01   0.10     0.01  -0.03  -0.05
    22   6     0.01  -0.04  -0.04    -0.01   0.01  -0.08    -0.01   0.01   0.02
    23   6     0.01  -0.12   0.01     0.01   0.03  -0.00     0.04   0.08   0.02
    24   8    -0.15   0.06   0.02     0.02  -0.01  -0.00     0.02  -0.01   0.00
    25   6    -0.05  -0.07   0.00     0.01   0.01  -0.00     0.00   0.01   0.00
    26   1     0.07   0.29  -0.09    -0.01  -0.07  -0.39     0.08  -0.17   0.18
    27   1     0.04  -0.08   0.03     0.03   0.03  -0.15     0.12   0.06   0.11
    28   1     0.05  -0.14   0.08     0.07   0.02   0.59     0.06   0.08  -0.39
    29   1     0.06  -0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.00   0.00
    30   1    -0.06  -0.27   0.00     0.01   0.03   0.03     0.00   0.04  -0.02
    31   1     0.06  -0.02  -0.01    -0.01  -0.01  -0.01    -0.01   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.4460               827.9605               834.5613
 Red. masses --      2.7915                 1.4916                 1.7777
 Frc consts  --      1.0910                 0.6025                 0.7295
 IR Inten    --     13.6835                 9.1212                 9.6949
 RamAct Fr= 1--      3.1091                 0.4332                 0.6808
  Dep-P Fr= 1--      0.5947                 0.7486                 0.2906
  Dep-U Fr= 1--      0.7459                 0.8562                 0.4503
 Alpha2 Fr= 1--      0.0090                 0.0000                 0.0072
 Beta2  Fr= 1--      0.3865                 0.0618                 0.0511
 AlphaG Fr= 1--     -0.0124                 0.0007                -0.0908
 Gamma2 Fr= 1--      1.1697                -1.3219                -0.2695
 Delta2 Fr= 1--      0.5705                -0.4503                -0.2954
 Raman1 Fr= 1--      12.436                  1.733                  2.723
 ROA1   Fr= 1--     130.548               -141.316                -35.326
 CID1   Fr= 1--      10.497                -81.555                -12.972
 Raman2 Fr= 1--       4.638                  0.742                  0.613
 ROA2   Fr= 1--      23.509                -28.125                 -4.105
 CID2   Fr= 1--       5.069                -37.912                 -6.695
 Raman3 Fr= 1--       9.276                  1.484                  1.226
 ROA3   Fr= 1--     130.548               -141.316                -35.326
 CID3   Fr= 1--      14.074                -95.248                -28.806
 RC180  Fr= 1--       0.492                  0.712                 -0.099
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02  -0.00    -0.01  -0.01   0.06     0.02   0.00   0.08
     2   6    -0.05  -0.06   0.05     0.01   0.02  -0.02    -0.02  -0.02  -0.06
     3   6     0.11   0.06  -0.03    -0.03  -0.01   0.01     0.04   0.02   0.03
     4   6     0.06  -0.01   0.02    -0.01   0.00   0.09     0.01  -0.00  -0.07
     5   6     0.00   0.04  -0.05    -0.01  -0.01  -0.09     0.01   0.01   0.04
     6   6     0.01  -0.03  -0.07    -0.01   0.00  -0.05     0.01  -0.00   0.06
     7   6    -0.03   0.05   0.01     0.00  -0.01  -0.06    -0.02   0.01  -0.09
     8   1     0.17   0.04   0.11    -0.07  -0.00  -0.30     0.05   0.02  -0.28
     9   1     0.06   0.05   0.39     0.02  -0.03   0.35    -0.01   0.02  -0.26
    10   1     0.16  -0.08   0.38     0.00   0.00   0.52     0.02  -0.01  -0.31
    11   6     0.04  -0.14   0.05     0.00   0.04  -0.01    -0.01  -0.04  -0.01
    12   6    -0.02  -0.02   0.08     0.02   0.00  -0.04    -0.02   0.00   0.04
    13   6    -0.01   0.16  -0.05    -0.01  -0.05  -0.00     0.02   0.04   0.01
    14   1    -0.00  -0.12  -0.14     0.03   0.04   0.08    -0.04  -0.03  -0.07
    15   1    -0.06   0.15   0.04     0.03  -0.05  -0.03    -0.04   0.05   0.05
    16   1    -0.14   0.22   0.28     0.05  -0.08  -0.10    -0.04   0.06   0.08
    17   1     0.07   0.01  -0.25    -0.02  -0.01   0.07     0.01   0.01  -0.05
    18   8    -0.10   0.00   0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
    19   8     0.07  -0.04  -0.09    -0.01   0.01   0.02     0.00  -0.01  -0.01
    20   1     0.02  -0.11   0.11    -0.01   0.01   0.00    -0.00  -0.02  -0.01
    21   6    -0.05   0.05   0.00     0.01  -0.01  -0.06    -0.03   0.02  -0.09
    22   6    -0.00   0.01  -0.04     0.00  -0.00   0.01     0.01   0.00   0.12
    23   6    -0.09  -0.08   0.05     0.03   0.02   0.06    -0.04  -0.02  -0.05
    24   8     0.04  -0.02   0.01    -0.01   0.01   0.00     0.01  -0.01  -0.03
    25   6     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01   0.01  -0.00
    26   1    -0.06   0.06  -0.01     0.04  -0.02   0.34     0.02   0.00   0.55
    27   1    -0.09   0.01   0.05     0.06  -0.02   0.40     0.02  -0.00   0.53
    28   1    -0.22  -0.04  -0.30     0.02   0.02  -0.38    -0.06  -0.02   0.25
    29   1    -0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    30   1     0.02   0.06  -0.02    -0.01  -0.02  -0.01     0.01   0.03   0.02
    31   1    -0.02  -0.01   0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    867.9941               883.5904               915.1010
 Red. masses --      3.0791                 1.8318                 1.5449
 Frc consts  --      1.3668                 0.8426                 0.7623
 IR Inten    --      6.3848                34.2662                13.0548
 RamAct Fr= 1--     25.3035                 1.8307                 0.7502
  Dep-P Fr= 1--      0.0904                 0.4867                 0.2043
  Dep-U Fr= 1--      0.1658                 0.6547                 0.3393
 Alpha2 Fr= 1--      0.4535                 0.0096                 0.0101
 Beta2  Fr= 1--      0.6994                 0.1998                 0.0424
 AlphaG Fr= 1--      0.3481                -0.1245                -0.0440
 Gamma2 Fr= 1--      0.7497                 0.0998                -0.1668
 Delta2 Fr= 1--     -0.3578                 0.3714                 0.0726
 Raman1 Fr= 1--     101.214                  7.323                  3.001
 ROA1   Fr= 1--      60.518                 21.463                -13.689
 CID1   Fr= 1--       0.598                  2.931                 -4.562
 Raman2 Fr= 1--       8.393                  2.397                  0.509
 ROA2   Fr= 1--      20.855                 -0.576                 -4.584
 CID2   Fr= 1--       2.485                 -0.240                 -9.005
 Raman3 Fr= 1--      16.786                  4.794                  1.018
 ROA3   Fr= 1--      60.518                 21.463                -13.689
 CID3   Fr= 1--       3.605                  4.477                -13.445
 RC180  Fr= 1--      -0.668                  0.309                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03  -0.03     0.00   0.00  -0.05     0.01   0.00   0.09
     2   6    -0.08  -0.04  -0.01     0.00  -0.01   0.14    -0.01   0.00  -0.03
     3   6     0.16   0.08   0.01     0.01   0.01   0.00    -0.01   0.01  -0.17
     4   6     0.03  -0.03   0.02     0.00  -0.00   0.04     0.00  -0.00   0.07
     5   6     0.05  -0.01  -0.01     0.00  -0.00  -0.06     0.01  -0.01  -0.00
     6   6     0.03   0.01  -0.01    -0.00   0.00  -0.08     0.01   0.00   0.02
     7   6    -0.03  -0.01   0.02    -0.00  -0.00   0.02    -0.00  -0.00  -0.02
     8   1     0.31   0.03  -0.19     0.03   0.00   0.04     0.10  -0.01   0.90
     9   1     0.05  -0.00  -0.04     0.04  -0.01   0.45     0.01  -0.01  -0.02
    10   1     0.15  -0.02   0.06     0.03  -0.00   0.28    -0.01   0.01  -0.07
    11   6    -0.15   0.06  -0.10    -0.02   0.01  -0.00    -0.01   0.02   0.01
    12   6    -0.06   0.03  -0.03     0.00   0.00  -0.02     0.00  -0.00  -0.03
    13   6     0.04  -0.08   0.03     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    14   1    -0.23   0.06  -0.04    -0.03   0.01   0.02    -0.02   0.02   0.02
    15   1    -0.04   0.02   0.34     0.00  -0.01   0.04     0.01  -0.02   0.04
    16   1     0.27  -0.18  -0.34     0.05  -0.04  -0.07     0.06  -0.05  -0.09
    17   1     0.07  -0.00   0.20     0.01  -0.00   0.03     0.02  -0.01   0.02
    18   8     0.09  -0.02  -0.02     0.01  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.06   0.03   0.09    -0.01   0.00   0.01    -0.01   0.00   0.01
    20   1    -0.03   0.04  -0.09    -0.01  -0.00  -0.00     0.01   0.03   0.01
    21   6    -0.05   0.03   0.03    -0.01   0.00  -0.02    -0.00  -0.00  -0.04
    22   6    -0.03   0.02  -0.04     0.00   0.00   0.09    -0.00   0.00   0.02
    23   6    -0.15  -0.08   0.06    -0.03  -0.00  -0.17    -0.02  -0.00   0.01
    24   8     0.07  -0.05   0.00     0.01  -0.00  -0.02     0.01  -0.01  -0.01
    25   6     0.03   0.03  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.11   0.02  -0.08    -0.01  -0.00   0.04    -0.02  -0.00  -0.01
    27   1    -0.06   0.04  -0.11    -0.00   0.00  -0.00     0.03  -0.00   0.31
    28   1    -0.33  -0.02  -0.20     0.04  -0.02   0.79    -0.03   0.00   0.02
    29   1    -0.04  -0.01   0.00    -0.01   0.00  -0.00    -0.01  -0.00  -0.00
    30   1     0.05   0.15  -0.01     0.01   0.02   0.03     0.01   0.02   0.00
    31   1    -0.04  -0.01   0.01    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.1285               963.4878               974.7275
 Red. masses --      4.2768                 1.3055                 1.3530
 Frc consts  --      2.2700                 0.7140                 0.7574
 IR Inten    --     25.2590                 0.2282                 0.4546
 RamAct Fr= 1--      0.4942                 1.4416                 1.3006
  Dep-P Fr= 1--      0.7448                 0.7397                 0.4471
  Dep-U Fr= 1--      0.8537                 0.8504                 0.6179
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0081
 Beta2  Fr= 1--      0.0703                 0.2043                 0.1339
 AlphaG Fr= 1--     -0.0002                 0.0195                -0.1226
 Gamma2 Fr= 1--     -1.6254                -0.0278                -1.1911
 Delta2 Fr= 1--      0.5667                -0.1117                -0.2024
 Raman1 Fr= 1--       1.977                  5.766                  5.203
 ROA1   Fr= 1--    -137.908                 -6.242               -120.822
 CID1   Fr= 1--     -69.767                 -1.082                -23.224
 Raman2 Fr= 1--       0.844                  2.452                  1.607
 ROA2   Fr= 1--     -43.543                  0.227                -26.966
 CID2   Fr= 1--     -51.605                  0.093                -16.777
 Raman3 Fr= 1--       1.688                  4.903                  3.215
 ROA3   Fr= 1--    -137.908                 -6.242               -120.822
 CID3   Fr= 1--     -81.720                 -1.273                -37.585
 RC180  Fr= 1--       0.707                  0.701                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.07   0.00     0.00  -0.00   0.02     0.00  -0.01  -0.01
     2   6     0.09  -0.06  -0.00     0.00  -0.00   0.01     0.00  -0.00  -0.02
     3   6     0.08  -0.18  -0.03     0.00  -0.00  -0.03     0.01   0.01   0.02
     4   6     0.13  -0.02   0.01     0.00  -0.00   0.01    -0.01  -0.00   0.01
     5   6    -0.17   0.24   0.03    -0.00   0.00  -0.01    -0.01   0.00  -0.12
     6   6    -0.04  -0.01  -0.01     0.00   0.00   0.01     0.01   0.01   0.11
     7   6    -0.03   0.06   0.01    -0.01   0.00  -0.12     0.00  -0.01   0.02
     8   1     0.11  -0.19   0.08     0.02  -0.01   0.15     0.01   0.01  -0.06
     9   1    -0.26   0.17  -0.03     0.00   0.00   0.09     0.04  -0.02   0.69
    10   1     0.22  -0.08   0.08    -0.00   0.00  -0.06    -0.07   0.03  -0.67
    11   6    -0.04  -0.01  -0.08    -0.00   0.00   0.00    -0.01  -0.00   0.01
    12   6    -0.07   0.02   0.02     0.00  -0.00  -0.01     0.01   0.00  -0.02
    13   6     0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.01  -0.00
    14   1    -0.13   0.00  -0.11    -0.01   0.00   0.01    -0.03  -0.00   0.05
    15   1    -0.08   0.09   0.31     0.00  -0.00   0.01     0.01  -0.02  -0.02
    16   1     0.13  -0.03  -0.13     0.01  -0.01  -0.02     0.01  -0.03  -0.03
    17   1     0.07   0.01   0.09     0.00  -0.00   0.01    -0.02  -0.00   0.03
    18   8     0.02  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.02   0.01   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.02   0.01   0.03     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.12   0.16   0.00     0.01   0.00   0.10    -0.01   0.03  -0.01
    22   6     0.09  -0.04  -0.01     0.00  -0.00  -0.01     0.01  -0.00  -0.00
    23   6     0.17  -0.10  -0.02     0.00  -0.00  -0.00     0.01  -0.03   0.02
    24   8    -0.08   0.08   0.01    -0.00   0.00   0.01    -0.00   0.01   0.00
    25   6    -0.06  -0.06   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    26   1     0.16   0.01  -0.06     0.07  -0.02   0.73     0.03  -0.02  -0.09
    27   1    -0.24   0.04   0.09    -0.06   0.02  -0.64    -0.00   0.04   0.04
    28   1     0.32  -0.15  -0.01     0.01  -0.01  -0.01     0.02  -0.03  -0.07
    29   1     0.07   0.01   0.00     0.00   0.00   0.00     0.01  -0.00   0.00
    30   1    -0.08  -0.26   0.00    -0.00  -0.01  -0.00    -0.01  -0.02  -0.00
    31   1     0.07   0.01  -0.01     0.00  -0.00   0.00     0.01   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.3063              1012.6412              1061.8872
 Red. masses --      3.3120                 1.7481                 4.7693
 Frc consts  --      1.8829                 1.0561                 3.1686
 IR Inten    --      0.6264                 6.9001                53.3683
 RamAct Fr= 1--     14.3527                 3.6831                 4.1333
  Dep-P Fr= 1--      0.1158                 0.2394                 0.3081
  Dep-U Fr= 1--      0.2075                 0.3863                 0.4711
 Alpha2 Fr= 1--      0.2417                 0.0450                 0.0414
 Beta2  Fr= 1--      0.4964                 0.2372                 0.3245
 AlphaG Fr= 1--      0.0707                 0.0426                 0.0099
 Gamma2 Fr= 1--      1.1416                -0.7795                 0.2170
 Delta2 Fr= 1--      0.4094                -1.5560                 0.0116
 Raman1 Fr= 1--      57.411                 14.733                 16.533
 ROA1   Fr= 1--     122.695               -124.628                 21.203
 CID1   Fr= 1--       2.137                 -8.459                  1.282
 Raman2 Fr= 1--       5.957                  2.846                  3.894
 ROA2   Fr= 1--      24.124                 -6.260                  5.115
 CID2   Fr= 1--       4.050                 -2.200                  1.313
 Raman3 Fr= 1--      11.914                  5.692                  7.788
 ROA3   Fr= 1--     122.695               -124.628                 21.203
 CID3   Fr= 1--      10.298                -21.896                  2.722
 RC180  Fr= 1--      -0.585                 -0.227                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.00     0.02   0.01  -0.00    -0.02   0.01   0.00
     2   6    -0.02  -0.02  -0.00     0.01  -0.02  -0.00    -0.04  -0.04   0.00
     3   6    -0.01  -0.16  -0.00     0.01  -0.03   0.01     0.02   0.04  -0.00
     4   6     0.08   0.01   0.00    -0.05  -0.06  -0.02     0.01  -0.01  -0.00
     5   6    -0.04   0.14  -0.03    -0.02   0.10   0.02     0.01  -0.02  -0.00
     6   6     0.01  -0.13   0.03     0.03   0.01  -0.01     0.00   0.03   0.00
     7   6    -0.00   0.12   0.00    -0.01   0.01   0.00    -0.08  -0.06   0.01
     8   1    -0.01  -0.17   0.00     0.12  -0.07  -0.05     0.06   0.03   0.00
     9   1     0.07   0.21   0.21     0.04   0.17  -0.08    -0.05  -0.08   0.00
    10   1     0.25  -0.21  -0.20     0.22  -0.04   0.01     0.04   0.02  -0.00
    11   6     0.00   0.00  -0.05    -0.06  -0.06   0.11     0.00  -0.01  -0.01
    12   6    -0.05  -0.00   0.03     0.08   0.03  -0.10    -0.01   0.01   0.00
    13   6    -0.00  -0.02  -0.00     0.02   0.06   0.02     0.00   0.00  -0.00
    14   1     0.06   0.00  -0.15    -0.39  -0.04   0.47    -0.02  -0.01   0.02
    15   1    -0.07   0.12   0.22     0.15  -0.31  -0.33     0.00  -0.02   0.02
    16   1     0.06   0.06  -0.00    -0.02  -0.24  -0.18     0.01  -0.02  -0.03
    17   1     0.10  -0.01  -0.06    -0.20   0.02   0.27    -0.01   0.01   0.05
    18   8     0.01   0.00  -0.00    -0.02  -0.01   0.00    -0.00  -0.00  -0.00
    19   8    -0.01   0.00   0.02     0.01  -0.01  -0.03    -0.00  -0.00   0.00
    20   1    -0.01   0.00   0.02     0.01  -0.01  -0.02    -0.00   0.00   0.00
    21   6     0.08  -0.22  -0.01     0.00  -0.02  -0.00     0.03  -0.12  -0.01
    22   6    -0.07   0.01   0.00    -0.01   0.00   0.00     0.18   0.11  -0.01
    23   6    -0.02   0.22   0.01    -0.01   0.02   0.00    -0.03   0.06   0.00
    24   8     0.03  -0.05  -0.00     0.00  -0.01  -0.00     0.10   0.30  -0.00
    25   6     0.04   0.05  -0.00     0.01   0.01  -0.00    -0.11  -0.33   0.00
    26   1    -0.36   0.23   0.03    -0.07   0.03   0.00    -0.33   0.01   0.03
    27   1    -0.03  -0.33  -0.01     0.00  -0.02   0.00    -0.20  -0.35   0.01
    28   1    -0.15   0.26   0.00    -0.05   0.03   0.01    -0.43   0.18   0.04
    29   1    -0.03   0.01  -0.00    -0.00   0.00  -0.00    -0.12  -0.25  -0.02
    30   1     0.05   0.15  -0.00     0.01   0.02  -0.00    -0.09  -0.16   0.00
    31   1    -0.03   0.01   0.01    -0.00   0.00   0.00    -0.11  -0.25   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1089.0324              1103.9385              1151.3295
 Red. masses --      1.7766                 2.5878                 1.4719
 Frc consts  --      1.2414                 1.8581                 1.1496
 IR Inten    --     15.3404                10.1019                13.3744
 RamAct Fr= 1--      2.7651                 8.2262                 0.5744
  Dep-P Fr= 1--      0.1633                 0.3087                 0.7491
  Dep-U Fr= 1--      0.2808                 0.4717                 0.8566
 Alpha2 Fr= 1--      0.0413                 0.0822                 0.0000
 Beta2  Fr= 1--      0.1294                 0.6468                 0.0820
 AlphaG Fr= 1--     -0.0496                 0.0759                 0.0003
 Gamma2 Fr= 1--      0.8678                -0.6320                 0.5636
 Delta2 Fr= 1--      0.0961                 0.9235                 1.3180
 Raman1 Fr= 1--      11.061                 32.905                  2.298
 ROA1   Fr= 1--      86.387                -31.121                 96.279
 CID1   Fr= 1--       7.810                 -0.946                 41.904
 Raman2 Fr= 1--       1.553                  7.761                  0.984
 ROA2   Fr= 1--      20.059                -22.556                  2.982
 CID2   Fr= 1--      12.916                 -2.906                  3.031
 Raman3 Fr= 1--       3.106                 15.522                  1.968
 ROA3   Fr= 1--      86.387                -31.121                 96.279
 CID3   Fr= 1--      27.813                 -2.005                 48.922
 RC180  Fr= 1--      -0.438                 -0.057                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00     0.03   0.02  -0.00     0.00   0.08   0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.01   0.05  -0.00
     3   6     0.01   0.00   0.01     0.03  -0.05   0.00    -0.03  -0.06   0.00
     4   6     0.06   0.05  -0.05    -0.04  -0.01  -0.02    -0.02  -0.01  -0.00
     5   6     0.01  -0.05   0.01    -0.02   0.03   0.01     0.01   0.04   0.00
     6   6    -0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.01  -0.06   0.00
     7   6     0.01   0.01  -0.00    -0.00  -0.02  -0.00    -0.05  -0.06   0.00
     8   1    -0.12   0.04  -0.05     0.24  -0.12  -0.06     0.10  -0.11  -0.02
     9   1    -0.04  -0.10  -0.03     0.04   0.09  -0.00     0.21   0.22  -0.01
    10   1    -0.12   0.01   0.00     0.08  -0.03  -0.01    -0.07  -0.04   0.00
    11   6     0.03  -0.01   0.13    -0.11   0.20   0.15     0.04  -0.01  -0.00
    12   6    -0.10  -0.02  -0.11     0.06  -0.15  -0.06    -0.02   0.01  -0.00
    13   6     0.00   0.06   0.07    -0.04  -0.08   0.11     0.00   0.01  -0.02
    14   1     0.27  -0.04   0.32    -0.09   0.20  -0.17     0.15  -0.02   0.04
    15   1    -0.09   0.07   0.49    -0.03   0.21  -0.14    -0.02   0.01   0.09
    16   1     0.37  -0.13  -0.45    -0.04   0.25   0.19     0.05  -0.01  -0.05
    17   1     0.29  -0.06   0.04     0.20  -0.12  -0.62     0.04  -0.00   0.03
    18   8    -0.04   0.01  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    19   8     0.03  -0.01  -0.05     0.04   0.00  -0.07    -0.01   0.00   0.01
    20   1     0.03  -0.01  -0.06     0.07  -0.01  -0.27    -0.01   0.00   0.07
    21   6    -0.00  -0.00   0.00    -0.02   0.01   0.00     0.04   0.03  -0.00
    22   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.04  -0.00   0.00
    23   6     0.01   0.01  -0.00    -0.01  -0.02   0.00    -0.02  -0.07  -0.00
    24   8    -0.00  -0.00   0.00     0.01   0.02  -0.00     0.04   0.04  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.02  -0.00     0.00  -0.04  -0.00
    26   1     0.04   0.00  -0.00    -0.05  -0.00   0.00    -0.41   0.05   0.04
    27   1    -0.05  -0.05   0.00     0.01   0.03   0.00     0.55   0.52  -0.03
    28   1     0.04  -0.00  -0.00    -0.01  -0.02   0.00     0.12  -0.11  -0.01
    29   1     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
    30   1    -0.00  -0.01   0.00    -0.00   0.00   0.00     0.02   0.09   0.00
    31   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.04  -0.04   0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.0385              1175.9684              1183.7967
 Red. masses --      1.2768                 2.2389                 1.3156
 Frc consts  --      1.0369                 1.8242                 1.0862
 IR Inten    --      0.8435                36.6029                 6.7018
 RamAct Fr= 1--      0.8896                19.2669                 3.2946
  Dep-P Fr= 1--      0.7478                 0.5344                 0.7497
  Dep-U Fr= 1--      0.8557                 0.6966                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0802                 0.0000
 Beta2  Fr= 1--      0.1269                 2.2368                 0.4705
 AlphaG Fr= 1--     -0.0074                -0.0114                 0.0003
 Gamma2 Fr= 1--     -0.0523                -6.1667                 0.2271
 Delta2 Fr= 1--     -0.0196                -1.8685                 0.2788
 Raman1 Fr= 1--       3.558                 77.067                 13.178
 ROA1   Fr= 1--      -5.645               -651.792                 30.725
 CID1   Fr= 1--      -1.586                 -8.457                  2.331
 Raman2 Fr= 1--       1.522                 26.842                  5.646
 ROA2   Fr= 1--      -1.097               -133.052                  3.221
 CID2   Fr= 1--      -0.721                 -4.957                  0.570
 Raman3 Fr= 1--       3.045                 53.683                 11.293
 ROA3   Fr= 1--      -5.645               -651.792                 30.725
 CID3   Fr= 1--      -1.854                -12.141                  2.721
 RC180  Fr= 1--       0.711                  0.393                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.04  -0.02  -0.00
     2   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.01   0.07   0.00
     3   6     0.00  -0.00  -0.00    -0.02   0.02  -0.01     0.01  -0.05  -0.00
     4   6    -0.00   0.00   0.00     0.07   0.00   0.02     0.01   0.02   0.01
     5   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.06   0.03  -0.01
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.06  -0.05   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.01   0.00     0.02   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.24   0.10   0.06    -0.06  -0.03   0.01
     9   1     0.00   0.00  -0.00    -0.11  -0.11   0.03     0.53   0.44  -0.03
    10   1     0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.53   0.09   0.05
    11   6    -0.00   0.00   0.00    -0.00  -0.05  -0.10    -0.01  -0.02  -0.02
    12   6     0.00  -0.00  -0.00     0.00   0.07   0.02     0.01   0.02   0.01
    13   6     0.00   0.00  -0.00    -0.04  -0.04   0.25    -0.00  -0.00   0.03
    14   1     0.00  -0.00   0.00    -0.23  -0.02  -0.31    -0.06  -0.01  -0.03
    15   1    -0.00   0.00  -0.00     0.04  -0.10  -0.06     0.02  -0.04  -0.04
    16   1    -0.00   0.00   0.00    -0.05  -0.09  -0.04    -0.03  -0.03   0.00
    17   1     0.00  -0.00  -0.00    -0.14   0.06   0.21    -0.04   0.02   0.04
    18   8     0.00  -0.00   0.00    -0.06   0.03  -0.02    -0.00   0.00  -0.00
    19   8    -0.00   0.00   0.00     0.08  -0.02  -0.07     0.01  -0.00  -0.01
    20   1    -0.00  -0.00   0.00     0.16  -0.02  -0.65     0.02  -0.00  -0.07
    21   6     0.00  -0.00   0.00     0.02   0.00  -0.00    -0.03   0.01   0.00
    22   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.02  -0.02   0.00
    23   6     0.00   0.00   0.00     0.01  -0.01  -0.00    -0.04   0.00   0.00
    24   8    -0.01   0.00  -0.06     0.00   0.00  -0.00     0.02   0.02  -0.00
    25   6     0.01  -0.00   0.14    -0.00  -0.00   0.00     0.00  -0.03  -0.00
    26   1     0.00  -0.00  -0.00    -0.21   0.07   0.02     0.25  -0.07  -0.02
    27   1    -0.00  -0.00  -0.01     0.18   0.15  -0.01    -0.25  -0.19   0.02
    28   1    -0.00   0.00  -0.02     0.02  -0.01  -0.00     0.06  -0.03  -0.01
    29   1     0.17   0.62  -0.18     0.00   0.00  -0.00    -0.02  -0.02  -0.01
    30   1    -0.02   0.01  -0.28     0.00   0.01  -0.00     0.01   0.06   0.00
    31   1    -0.20  -0.62  -0.17     0.00   0.00   0.00    -0.02  -0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1192.3048              1205.0676              1224.6997
 Red. masses --      1.4867                 1.5172                 1.7611
 Frc consts  --      1.2452                 1.2982                 1.5563
 IR Inten    --     16.3939                37.9711                63.2354
 RamAct Fr= 1--      1.9640                52.7965                16.5356
  Dep-P Fr= 1--      0.7470                 0.1736                 0.1965
  Dep-U Fr= 1--      0.8552                 0.2958                 0.3284
 Alpha2 Fr= 1--      0.0001                 0.7683                 0.2267
 Beta2  Fr= 1--      0.2799                 2.6032                 0.9050
 AlphaG Fr= 1--     -0.0000                -0.0138                -0.0132
 Gamma2 Fr= 1--      2.9901                 1.4837                -0.1404
 Delta2 Fr= 1--     -1.0602                 1.9202                 0.0117
 Raman1 Fr= 1--       7.856                211.186                 66.142
 ROA1   Fr= 1--     253.121                203.880                -13.101
 CID1   Fr= 1--      32.220                  0.965                 -0.198
 Raman2 Fr= 1--       3.359                 31.238                 10.860
 ROA2   Fr= 1--      80.243                 20.246                 -3.463
 CID2   Fr= 1--      23.888                  0.648                 -0.319
 Raman3 Fr= 1--       6.718                 62.477                 21.721
 ROA3   Fr= 1--     253.121                203.880                -13.101
 CID3   Fr= 1--      37.676                  3.263                 -0.603
 RC180  Fr= 1--       0.710                 -0.408                 -0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.01    -0.03   0.04   0.00     0.03  -0.00  -0.00
     2   6    -0.08   0.05   0.01     0.02  -0.02  -0.00     0.12  -0.06  -0.01
     3   6     0.02  -0.01  -0.00    -0.01  -0.02  -0.00    -0.03  -0.00   0.00
     4   6    -0.06   0.01   0.01    -0.10  -0.03   0.01    -0.05  -0.04   0.00
     5   6    -0.03  -0.02   0.00    -0.01   0.02   0.00    -0.02   0.03   0.00
     6   6     0.05  -0.03  -0.00     0.00   0.03   0.00    -0.00   0.06   0.00
     7   6     0.04  -0.03  -0.00     0.00  -0.04  -0.00    -0.01   0.01   0.00
     8   1     0.41  -0.13  -0.03     0.49  -0.18  -0.04     0.11  -0.05  -0.01
     9   1    -0.01  -0.00   0.01     0.12   0.15  -0.00    -0.07  -0.00   0.01
    10   1     0.38  -0.14  -0.04    -0.06   0.05   0.01    -0.23   0.13   0.02
    11   6     0.03  -0.01  -0.03     0.07  -0.00  -0.03     0.04   0.01  -0.00
    12   6    -0.01   0.03   0.01    -0.02   0.03   0.01    -0.02   0.01  -0.00
    13   6    -0.00   0.01   0.04    -0.01   0.00   0.05    -0.00  -0.00   0.02
    14   1     0.20  -0.03  -0.04     0.31  -0.02  -0.08     0.13   0.00  -0.05
    15   1     0.01  -0.03   0.01    -0.01  -0.02   0.05    -0.01   0.01   0.04
    16   1     0.01  -0.03  -0.03     0.04  -0.03  -0.06     0.04   0.00  -0.03
    17   1    -0.02   0.02   0.08     0.02   0.02   0.09     0.03   0.00   0.02
    18   8    -0.02   0.01  -0.00    -0.02   0.01  -0.01    -0.01   0.00  -0.00
    19   8     0.01  -0.01  -0.01     0.02  -0.01  -0.01     0.01  -0.00  -0.01
    20   1     0.03  -0.01  -0.12     0.03  -0.01  -0.12     0.01  -0.00  -0.02
    21   6    -0.03  -0.02   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    22   6    -0.05   0.02   0.00     0.08   0.02  -0.01     0.02   0.00  -0.00
    23   6     0.02  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.01   0.03   0.00    -0.01  -0.05  -0.00    -0.11   0.01   0.01
    25   6     0.04  -0.04  -0.00    -0.06   0.06   0.01     0.13  -0.01  -0.01
    26   1     0.42  -0.15  -0.04     0.10  -0.08  -0.01    -0.01   0.01   0.00
    27   1    -0.10  -0.09   0.01    -0.02  -0.05   0.00    -0.05  -0.05   0.00
    28   1     0.39  -0.12  -0.04    -0.40   0.13   0.04    -0.41   0.09   0.04
    29   1    -0.14  -0.08  -0.02     0.19   0.11   0.04    -0.35  -0.17  -0.05
    30   1     0.07   0.29   0.00    -0.11  -0.43  -0.00     0.18   0.55  -0.00
    31   1    -0.13  -0.08   0.04     0.19   0.11  -0.07    -0.34  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1268.2530              1283.2225              1299.5873
 Red. masses --      3.6075                 1.5270                 1.6895
 Frc consts  --      3.4187                 1.4815                 1.6812
 IR Inten    --     92.4369                32.8616                56.7176
 RamAct Fr= 1--      4.2084                 4.6109                 3.7582
  Dep-P Fr= 1--      0.2437                 0.7500                 0.7391
  Dep-U Fr= 1--      0.3919                 0.8571                 0.8500
 Alpha2 Fr= 1--      0.0508                 0.0000                 0.0007
 Beta2  Fr= 1--      0.2749                 0.6587                 0.5324
 AlphaG Fr= 1--      0.0166                 0.0002                -0.0018
 Gamma2 Fr= 1--      0.0316                -4.1024                10.5142
 Delta2 Fr= 1--     -0.1302                -0.3123                -0.3722
 Raman1 Fr= 1--      16.833                 18.444                 15.033
 ROA1   Fr= 1--      -1.133               -403.824                997.450
 CID1   Fr= 1--      -0.067                -21.895                 66.351
 Raman2 Fr= 1--       3.299                  7.904                  6.389
 ROA2   Fr= 1--       1.800                -95.959                255.318
 CID2   Fr= 1--       0.546                -12.140                 39.962
 Raman3 Fr= 1--       6.597                 15.808                 12.778
 ROA3   Fr= 1--      -1.133               -403.824                997.450
 CID3   Fr= 1--      -0.172                -25.545                 78.059
 RC180  Fr= 1--      -0.216                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24  -0.08  -0.02     0.03  -0.06  -0.00    -0.00   0.10   0.00
     2   6     0.09  -0.02  -0.01    -0.02  -0.03   0.00     0.10   0.08  -0.01
     3   6    -0.07   0.01   0.01     0.03  -0.04  -0.01    -0.04  -0.03   0.00
     4   6    -0.19  -0.14   0.01    -0.00   0.07   0.01     0.06   0.02  -0.00
     5   6    -0.02   0.01   0.00     0.01  -0.02  -0.00    -0.02   0.02   0.00
     6   6     0.00   0.07   0.00    -0.00   0.01  -0.00     0.02  -0.06  -0.00
     7   6     0.01   0.07   0.00     0.01   0.02   0.00    -0.01  -0.02   0.00
     8   1    -0.30   0.07   0.02     0.13  -0.08   0.00    -0.17   0.01   0.02
     9   1    -0.03   0.01   0.01    -0.06  -0.07  -0.00    -0.20  -0.14   0.01
    10   1     0.44  -0.06  -0.04    -0.16   0.06   0.02     0.08  -0.08  -0.01
    11   6     0.10   0.03  -0.00    -0.14  -0.01  -0.05    -0.03   0.00  -0.04
    12   6    -0.03   0.01   0.00     0.05  -0.00   0.02     0.01  -0.03   0.01
    13   6    -0.01   0.00   0.00     0.03   0.05  -0.03     0.01   0.02  -0.04
    14   1     0.45   0.00  -0.09     0.65  -0.09   0.36    -0.02  -0.01   0.35
    15   1    -0.02   0.00   0.07     0.03   0.01  -0.13    -0.02   0.07   0.00
    16   1     0.09   0.01  -0.07    -0.10  -0.02   0.09    -0.03   0.05   0.08
    17   1     0.08   0.00   0.04    -0.13   0.01  -0.03    -0.02  -0.02  -0.06
    18   8    -0.02   0.01  -0.00    -0.02  -0.00   0.01    -0.02   0.00   0.01
    19   8     0.01  -0.00   0.01     0.01  -0.01   0.04     0.01  -0.01   0.04
    20   1     0.04   0.00  -0.17     0.07  -0.00  -0.40     0.06   0.01  -0.35
    21   6    -0.03   0.06   0.00    -0.00   0.01   0.00    -0.02  -0.01   0.00
    22   6    -0.15  -0.11   0.01     0.00   0.02  -0.00    -0.04  -0.07   0.00
    23   6    -0.11   0.04   0.01     0.01  -0.00  -0.00    -0.05  -0.02   0.00
    24   8     0.12   0.05  -0.01    -0.01  -0.01   0.00     0.04   0.02  -0.00
    25   6    -0.04  -0.05   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
    26   1    -0.06   0.11   0.01    -0.30   0.12   0.03     0.52  -0.19  -0.05
    27   1    -0.27  -0.14   0.02    -0.03  -0.02   0.00     0.09   0.10  -0.01
    28   1     0.22  -0.06  -0.02     0.11  -0.03  -0.01    -0.48   0.11   0.04
    29   1     0.13   0.07  -0.01    -0.01  -0.00  -0.00     0.03   0.02  -0.01
    30   1    -0.03   0.01   0.00     0.00   0.01  -0.00    -0.01  -0.02   0.00
    31   1     0.13   0.07  -0.01    -0.01  -0.00   0.00     0.03   0.02   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1300.7338              1310.2521              1340.6064
 Red. masses --      2.1450                 1.6817                 1.7868
 Frc consts  --      2.1382                 1.7011                 1.8921
 IR Inten    --    108.0492               120.2947               119.6299
 RamAct Fr= 1--      1.7327                 5.2535                 4.7622
  Dep-P Fr= 1--      0.7267                 0.6644                 0.7094
  Dep-U Fr= 1--      0.8417                 0.7984                 0.8300
 Alpha2 Fr= 1--      0.0007                 0.0080                 0.0034
 Beta2  Fr= 1--      0.2431                 0.6991                 0.6588
 AlphaG Fr= 1--      0.0005                -0.0254                -0.0023
 Gamma2 Fr= 1--      2.3138                -6.7337                -0.3341
 Delta2 Fr= 1--     -0.1537                -0.4299                 0.9146
 Raman1 Fr= 1--       6.931                 21.014                 19.049
 ROA1   Fr= 1--     217.203               -660.193                 -2.806
 CID1   Fr= 1--      31.339                -31.417                 -0.147
 Raman2 Fr= 1--       2.917                  8.389                  7.905
 ROA2   Fr= 1--      56.761               -158.171                -15.335
 CID2   Fr= 1--      19.460                -18.855                 -1.940
 Raman3 Fr= 1--       5.834                 16.777                 15.811
 ROA3   Fr= 1--     217.203               -660.193                 -2.806
 CID3   Fr= 1--      37.233                -39.350                 -0.177
 RC180  Fr= 1--       0.683                  0.597                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.08   0.01     0.05   0.03  -0.00     0.01  -0.01  -0.00
     2   6     0.07  -0.12  -0.01     0.04   0.06  -0.00     0.00  -0.01   0.00
     3   6     0.01   0.05   0.00    -0.01  -0.06  -0.00    -0.01   0.02  -0.00
     4   6     0.03   0.02  -0.00     0.02   0.07   0.00    -0.01  -0.03   0.02
     5   6     0.02   0.03  -0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.03   0.00     0.02  -0.04  -0.00    -0.01   0.01   0.00
     7   6    -0.04   0.09   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1     0.56  -0.12  -0.05    -0.11  -0.04   0.01     0.02   0.01   0.04
     9   1    -0.20  -0.16   0.01    -0.16  -0.15   0.01     0.03   0.03   0.01
    10   1    -0.47   0.18   0.05     0.06  -0.05  -0.00     0.04  -0.00  -0.00
    11   6    -0.02  -0.01   0.02    -0.11  -0.02   0.03     0.02   0.03  -0.17
    12   6     0.01   0.01  -0.01     0.04   0.05  -0.01    -0.02  -0.06   0.05
    13   6    -0.00  -0.01   0.01    -0.00   0.01   0.09     0.00   0.02   0.15
    14   1    -0.06   0.00  -0.11     0.44  -0.06  -0.39    -0.07   0.02   0.77
    15   1     0.01  -0.01  -0.00     0.07  -0.10  -0.11    -0.07   0.15  -0.04
    16   1    -0.01  -0.02  -0.01    -0.07  -0.12  -0.04     0.03   0.11   0.09
    17   1    -0.02   0.01   0.02    -0.14   0.05   0.11     0.03  -0.04  -0.18
    18   8     0.01  -0.00  -0.00     0.04  -0.02  -0.02     0.02  -0.01  -0.03
    19   8    -0.01   0.00  -0.02    -0.02   0.01  -0.08    -0.01   0.00  -0.08
    20   1    -0.03   0.00   0.14    -0.12  -0.01   0.62    -0.08   0.01   0.48
    21   6     0.01  -0.02  -0.00    -0.02   0.01   0.00     0.00   0.00  -0.00
    22   6    -0.14  -0.10   0.01    -0.01  -0.01   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.07   0.00    -0.03  -0.03   0.00    -0.00   0.01   0.00
    24   8     0.09   0.04  -0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
    25   6    -0.03  -0.04   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.25   0.00  -0.02     0.06  -0.03  -0.00    -0.01   0.00   0.00
    27   1     0.24   0.20  -0.02    -0.04  -0.01   0.00    -0.01  -0.01   0.00
    28   1     0.07   0.04  -0.01    -0.20   0.02   0.02     0.05  -0.01  -0.00
    29   1     0.10   0.06  -0.02     0.01   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.06   0.00    -0.00  -0.02   0.00    -0.00   0.01   0.00
    31   1     0.10   0.06   0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1382.2804              1409.2473              1417.2823
 Red. masses --      1.8367                 4.9484                 1.3618
 Frc consts  --      2.0677                 5.7901                 1.6117
 IR Inten    --      7.9560                 3.9000                11.6619
 RamAct Fr= 1--     18.0972               681.2120                58.5132
  Dep-P Fr= 1--      0.2604                 0.2238                 0.1682
  Dep-U Fr= 1--      0.4132                 0.3658                 0.2879
 Alpha2 Fr= 1--      0.2083                 8.6776                 0.8636
 Beta2  Fr= 1--      1.2462                41.5316                 2.8076
 AlphaG Fr= 1--      0.1099                -1.6789                -0.0841
 Gamma2 Fr= 1--      1.5504                -7.9966                -0.1115
 Delta2 Fr= 1--     -0.2369                 1.9124                 0.0057
 Raman1 Fr= 1--      72.389               2724.848                234.053
 ROA1   Fr= 1--     141.262               -706.480                -10.520
 CID1   Fr= 1--       1.951                 -0.259                 -0.045
 Raman2 Fr= 1--      14.954                498.379                 33.691
 ROA2   Fr= 1--      39.105               -207.219                 -2.722
 CID2   Fr= 1--       2.615                 -0.416                 -0.081
 Raman3 Fr= 1--      29.908                996.757                 67.382
 ROA3   Fr= 1--     141.262               -706.480                -10.520
 CID3   Fr= 1--       4.723                 -0.709                 -0.156
 RC180  Fr= 1--      -0.174                 -0.268                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.00     0.09   0.28  -0.00    -0.00  -0.05  -0.00
     2   6     0.07   0.00  -0.01    -0.08  -0.28   0.00     0.01   0.05   0.00
     3   6    -0.09  -0.04   0.01    -0.16   0.06   0.02    -0.01   0.01   0.00
     4   6    -0.01   0.08   0.00     0.12  -0.18  -0.01    -0.00   0.01  -0.00
     5   6     0.01   0.04   0.00     0.17   0.10  -0.01     0.01  -0.01  -0.00
     6   6     0.06  -0.05  -0.01    -0.19   0.04   0.02    -0.01  -0.01   0.00
     7   6     0.06  -0.07  -0.01     0.03  -0.06  -0.00    -0.04   0.00   0.00
     8   1     0.24  -0.15  -0.02    -0.12   0.06   0.01     0.13  -0.03  -0.01
     9   1    -0.36  -0.30   0.02    -0.01  -0.08  -0.01     0.02   0.00  -0.01
    10   1    -0.33   0.07   0.03    -0.04  -0.02   0.01     0.11  -0.05  -0.01
    11   6     0.05  -0.02  -0.01    -0.08   0.01   0.01     0.00   0.00  -0.00
    12   6    -0.00  -0.01  -0.01     0.04  -0.01  -0.05     0.05  -0.04  -0.11
    13   6    -0.00  -0.01  -0.01     0.00   0.01   0.01    -0.01   0.00   0.01
    14   1    -0.31   0.02   0.04     0.40  -0.03  -0.04    -0.03   0.01   0.03
    15   1    -0.01   0.04   0.07     0.01   0.12   0.21     0.00   0.20   0.54
    16   1    -0.01   0.06   0.04    -0.20   0.04   0.12    -0.40   0.26   0.33
    17   1     0.01  -0.02   0.06    -0.19  -0.00   0.16    -0.23  -0.05   0.45
    18   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.00
    19   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    20   1     0.01   0.00  -0.02    -0.00   0.01   0.01    -0.00  -0.00   0.02
    21   6     0.02   0.03  -0.00    -0.05  -0.05   0.00     0.03   0.03  -0.00
    22   6    -0.05   0.12   0.01    -0.00   0.07   0.00     0.04  -0.05  -0.00
    23   6    -0.07  -0.06   0.00     0.07   0.02  -0.01    -0.03   0.02   0.00
    24   8     0.02  -0.02  -0.00    -0.01  -0.01   0.00    -0.01   0.00   0.00
    25   6    -0.02  -0.00   0.00    -0.01   0.00   0.00     0.01   0.01  -0.00
    26   1    -0.27   0.03   0.02     0.35  -0.16  -0.03    -0.03  -0.00   0.00
    27   1    -0.33  -0.31   0.02     0.01   0.01  -0.00    -0.01  -0.01   0.00
    28   1     0.25  -0.17  -0.03     0.34  -0.06  -0.03     0.01   0.01  -0.00
    29   1     0.08   0.03   0.01     0.03   0.01   0.00    -0.04  -0.03   0.01
    30   1    -0.02   0.01   0.00    -0.00   0.03   0.00     0.01  -0.03  -0.00
    31   1     0.07   0.03  -0.03     0.02   0.01  -0.01    -0.04  -0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1425.7671              1457.1558              1476.5356
 Red. masses --      2.9438                 3.4638                 1.2342
 Frc consts  --      3.5258                 4.3332                 1.5854
 IR Inten    --     72.5546                12.1027                 6.9391
 RamAct Fr= 1--     68.1346               131.2093                11.1932
  Dep-P Fr= 1--      0.1866                 0.2573                 0.6515
  Dep-U Fr= 1--      0.3145                 0.4093                 0.7890
 Alpha2 Fr= 1--      0.9585                 1.5234                 0.0198
 Beta2  Fr= 1--      3.5717                 8.9506                 1.4719
 AlphaG Fr= 1--      0.0268                 0.3543                -0.0115
 Gamma2 Fr= 1--     -0.0844                -0.2048                -1.8796
 Delta2 Fr= 1--     -2.6764                 0.7285                -0.8027
 Raman1 Fr= 1--     272.538                524.837                 44.773
 ROA1   Fr= 1--     -93.743                  3.656               -206.129
 CID1   Fr= 1--      -0.344                  0.007                 -4.604
 Raman2 Fr= 1--      42.861                107.407                 17.663
 ROA2   Fr= 1--      19.386                -10.743                -38.689
 CID2   Fr= 1--       0.452                 -0.100                 -2.190
 Raman3 Fr= 1--      85.722                214.815                 35.326
 ROA3   Fr= 1--     -93.743                  3.656               -206.129
 CID3   Fr= 1--      -1.094                  0.017                 -5.835
 RC180  Fr= 1--      -0.371                 -0.181                  0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.17   0.00  -0.01    -0.02  -0.00   0.00
     2   6     0.03   0.08  -0.00    -0.17  -0.01   0.01     0.00   0.02   0.00
     3   6    -0.11   0.06   0.01    -0.10  -0.06   0.01    -0.02   0.01   0.00
     4   6     0.08  -0.02  -0.01    -0.06   0.18   0.01     0.03   0.01  -0.00
     5   6     0.12   0.05  -0.01     0.11  -0.04  -0.01     0.01  -0.02  -0.00
     6   6    -0.12  -0.06   0.01    -0.08  -0.01   0.01    -0.04   0.01   0.00
     7   6    -0.13  -0.03   0.01     0.12   0.03  -0.01     0.01  -0.03  -0.00
     8   1     0.44  -0.11  -0.04     0.34  -0.21  -0.03     0.09  -0.02  -0.01
     9   1    -0.14  -0.21   0.01    -0.09  -0.24   0.00     0.08   0.04  -0.01
    10   1     0.24  -0.18  -0.02     0.12  -0.09  -0.01     0.14  -0.05  -0.01
    11   6    -0.03  -0.01   0.01     0.06  -0.04  -0.01    -0.01  -0.00   0.00
    12   6    -0.02   0.02   0.06    -0.01   0.00   0.01     0.00   0.00   0.00
    13   6     0.01  -0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.01  -0.01  -0.02    -0.39   0.01   0.03    -0.02  -0.00   0.00
    15   1    -0.01  -0.07  -0.29     0.00  -0.06  -0.02     0.01  -0.01   0.03
    16   1     0.21  -0.16  -0.18     0.03   0.05   0.01    -0.03  -0.06  -0.01
    17   1     0.07   0.03  -0.26     0.09  -0.01   0.02    -0.02   0.01  -0.05
    18   8    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   8    -0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   1     0.01   0.01  -0.04     0.01   0.01  -0.01    -0.00   0.00   0.00
    21   6     0.13   0.09  -0.01    -0.15   0.02   0.01     0.04   0.04  -0.00
    22   6     0.13  -0.11  -0.01     0.01  -0.15  -0.00     0.01  -0.02  -0.00
    23   6    -0.13   0.08   0.01     0.13   0.03  -0.01     0.03  -0.01  -0.00
    24   8    -0.05  -0.01   0.00    -0.00   0.04   0.00    -0.03  -0.02   0.00
    25   6     0.03   0.03  -0.00     0.03  -0.00  -0.00    -0.04  -0.09   0.00
    26   1     0.03  -0.10  -0.01    -0.14   0.13   0.01    -0.12   0.01   0.01
    27   1    -0.09  -0.13   0.00     0.07   0.25   0.00    -0.10  -0.09   0.01
    28   1     0.28  -0.03  -0.02    -0.38   0.20   0.04    -0.15   0.05   0.01
    29   1    -0.13  -0.13   0.04    -0.14   0.03  -0.06     0.28   0.40  -0.18
    30   1     0.01  -0.12  -0.00     0.02  -0.12  -0.00     0.03   0.57   0.01
    31   1    -0.14  -0.13  -0.02    -0.13   0.02   0.09     0.31   0.39   0.14
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1591              1493.3446              1497.8078
 Red. masses --      1.0516                 1.0460                 1.0545
 Frc consts  --      1.3795                 1.3744                 1.3938
 IR Inten    --      8.6376                 8.7664                 7.7006
 RamAct Fr= 1--      6.0515                 9.4844                 5.2954
  Dep-P Fr= 1--      0.7480                 0.7494                 0.7148
  Dep-U Fr= 1--      0.8558                 0.8567                 0.8337
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0032
 Beta2  Fr= 1--      0.8632                 1.3543                 0.7358
 AlphaG Fr= 1--      0.0008                 0.0095                 0.0402
 Gamma2 Fr= 1--      3.3254                -0.0717                 1.7900
 Delta2 Fr= 1--     -0.0006                 0.1490                 1.9593
 Raman1 Fr= 1--      24.206                 37.937                 21.182
 ROA1   Fr= 1--     319.220                 -2.111                234.540
 CID1   Fr= 1--      13.188                 -0.056                 11.073
 Raman2 Fr= 1--      10.358                 16.251                  8.830
 ROA2   Fr= 1--      79.814                 -2.912                 27.287
 CID2   Fr= 1--       7.705                 -0.179                  3.090
 Raman3 Fr= 1--      20.717                 32.503                 17.659
 ROA3   Fr= 1--     319.220                 -2.111                234.540
 CID3   Fr= 1--      15.409                 -0.065                 13.281
 RC180  Fr= 1--       0.712                  0.713                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
     5   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
     8   1    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
     9   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    10   1    -0.03   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02  -0.01   0.01    -0.00  -0.00   0.00    -0.03   0.01  -0.02
    12   6    -0.02  -0.04  -0.01    -0.00  -0.00  -0.00    -0.04   0.02  -0.02
    13   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1     0.04  -0.02  -0.06     0.00  -0.00  -0.00     0.04   0.00   0.04
    15   1    -0.10   0.26  -0.43    -0.00   0.00  -0.00     0.13  -0.61  -0.02
    16   1     0.46   0.52  -0.00     0.00   0.00  -0.00    -0.17   0.28   0.22
    17   1     0.02  -0.06   0.49    -0.00  -0.00   0.00     0.65  -0.05   0.14
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.00   0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    22   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    24   8    -0.01  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.01   0.00  -0.06    -0.00  -0.00   0.00
    26   1     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.02  -0.01  -0.00
    27   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   1     0.00   0.00   0.00    -0.00   0.00  -0.03     0.02  -0.01  -0.00
    29   1     0.02   0.05  -0.02     0.48   0.11   0.03     0.02   0.00   0.00
    30   1     0.00   0.06  -0.00     0.06  -0.01   0.72     0.00   0.03   0.00
    31   1     0.03   0.05   0.02    -0.46  -0.11   0.11     0.02   0.00  -0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.2828              1525.5170              1546.3047
 Red. masses --      1.0645                 2.3856                 3.4774
 Frc consts  --      1.4230                 3.2710                 4.8989
 IR Inten    --     35.7912                47.3994                33.5843
 RamAct Fr= 1--      2.3044               144.7065                 0.4531
  Dep-P Fr= 1--      0.6646                 0.2392                 0.6146
  Dep-U Fr= 1--      0.7985                 0.3861                 0.7613
 Alpha2 Fr= 1--      0.0035                 1.7673                 0.0011
 Beta2  Fr= 1--      0.3067                 9.3109                 0.0575
 AlphaG Fr= 1--     -0.0053                -0.1475                -0.0112
 Gamma2 Fr= 1--     -0.2636                -2.4876                -1.0878
 Delta2 Fr= 1--     -0.1806                 1.1204                 0.0904
 Raman1 Fr= 1--       9.217                578.826                  1.812
 ROA1   Fr= 1--     -31.086               -202.955               -101.535
 CID1   Fr= 1--      -3.373                 -0.351                -56.024
 Raman2 Fr= 1--       3.680                111.731                  0.690
 ROA2   Fr= 1--      -4.882                -68.666                -26.830
 CID2   Fr= 1--      -1.326                 -0.615                -38.892
 Raman3 Fr= 1--       7.360                223.461                  1.380
 ROA3   Fr= 1--     -31.086               -202.955               -101.535
 CID3   Fr= 1--      -4.224                 -0.908                -73.592
 RC180  Fr= 1--       0.597                 -0.228                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00     0.09  -0.02  -0.01     0.13  -0.04  -0.01
     2   6     0.00  -0.00  -0.00    -0.10   0.03   0.01     0.14  -0.06  -0.01
     3   6     0.01   0.01  -0.00     0.06  -0.04  -0.01    -0.06  -0.05   0.00
     4   6     0.00  -0.02  -0.00    -0.12  -0.01   0.01     0.03   0.18   0.00
     5   6    -0.00   0.01   0.00     0.06   0.09  -0.00    -0.05  -0.15   0.00
     6   6     0.02  -0.01  -0.00     0.10  -0.07  -0.01    -0.12   0.11   0.01
     7   6     0.00  -0.01  -0.00    -0.11   0.06   0.01    -0.12   0.10   0.01
     8   1    -0.03   0.02   0.00    -0.20   0.03   0.02     0.18  -0.13  -0.02
     9   1    -0.02  -0.00   0.00    -0.34  -0.26   0.02     0.33   0.18  -0.03
    10   1    -0.04   0.01   0.00    -0.36   0.06   0.03     0.40  -0.05  -0.03
    11   6    -0.00   0.00  -0.00     0.04   0.01  -0.01     0.01  -0.03   0.00
    12   6    -0.00   0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    14   1     0.03   0.00   0.00     0.00   0.01   0.01    -0.19  -0.00   0.00
    15   1     0.01  -0.02   0.01     0.01   0.01   0.09    -0.01   0.02  -0.04
    16   1    -0.01  -0.00   0.01    -0.06  -0.09  -0.01     0.04   0.03  -0.01
    17   1     0.02  -0.00  -0.01    -0.04   0.01  -0.08    -0.01  -0.00   0.04
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.01     0.00   0.01  -0.00
    21   6     0.01   0.01  -0.00    -0.04  -0.08   0.00    -0.03  -0.15  -0.00
    22   6    -0.01   0.00   0.00     0.15   0.02  -0.01     0.04   0.19   0.00
    23   6    -0.01   0.00   0.00    -0.06   0.04   0.01    -0.08  -0.05   0.01
    24   8     0.02  -0.01  -0.00    -0.05  -0.02   0.00    -0.00  -0.03  -0.00
    25   6     0.04  -0.03  -0.00    -0.02  -0.03   0.00    -0.01  -0.01   0.00
    26   1    -0.02  -0.00   0.00     0.35  -0.08  -0.03     0.40  -0.06  -0.03
    27   1    -0.03  -0.03   0.00     0.28   0.21  -0.02     0.27   0.12  -0.02
    28   1     0.04  -0.01  -0.00     0.22  -0.04  -0.02     0.24  -0.15  -0.02
    29   1    -0.39   0.40  -0.34     0.13   0.18  -0.08    -0.03   0.13  -0.08
    30   1    -0.01  -0.37  -0.01     0.01   0.26   0.01    -0.02  -0.04   0.00
    31   1    -0.32   0.39   0.42     0.14   0.18   0.07    -0.01   0.12   0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1617.0717              1653.5329              1672.9576
 Red. masses --      7.0756                 5.6241                 6.1891
 Frc consts  --     10.9012                 9.0601                10.2057
 IR Inten    --      3.6891               116.7881                58.2518
 RamAct Fr= 1--     46.1947                 2.7500               180.7569
  Dep-P Fr= 1--      0.1870                 0.5137                 0.4370
  Dep-U Fr= 1--      0.3150                 0.6787                 0.6082
 Alpha2 Fr= 1--      0.6492                 0.0127                 1.1665
 Beta2  Fr= 1--      2.4256                 0.3111                18.3233
 AlphaG Fr= 1--     -0.3990                -0.0199                -0.3528
 Gamma2 Fr= 1--      0.4954                -0.3969                 0.1993
 Delta2 Fr= 1--      0.5136                 0.8725                -1.3996
 Raman1 Fr= 1--     184.779                 11.000                723.028
 ROA1   Fr= 1--      63.994                -10.185                -25.658
 CID1   Fr= 1--       0.346                 -0.926                 -0.035
 Raman2 Fr= 1--      29.107                  3.733                219.880
 ROA2   Fr= 1--       7.781                -16.506                 15.980
 CID2   Fr= 1--       0.267                 -4.422                  0.073
 Raman3 Fr= 1--      58.214                  7.466                439.760
 ROA3   Fr= 1--      63.994                -10.185                -25.658
 CID3   Fr= 1--       1.099                 -1.364                 -0.058
 RC180  Fr= 1--      -0.370                  0.357                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.29  -0.00    -0.02  -0.01   0.00    -0.25   0.04   0.02
     2   6     0.04   0.29   0.00    -0.01  -0.01   0.00     0.24  -0.04  -0.02
     3   6    -0.12   0.16   0.01     0.21  -0.11  -0.02     0.22  -0.08  -0.02
     4   6     0.06  -0.22  -0.01    -0.20   0.10   0.02    -0.15   0.06   0.01
     5   6     0.16   0.16  -0.01     0.21   0.06  -0.02     0.18   0.06  -0.01
     6   6    -0.12  -0.10   0.01    -0.21  -0.00   0.02    -0.24   0.03   0.02
     7   6     0.11   0.11  -0.01    -0.23  -0.00   0.02     0.25  -0.03  -0.02
     8   1     0.32   0.03  -0.02    -0.31   0.04   0.03    -0.31   0.08   0.03
     9   1    -0.18  -0.16   0.01    -0.17  -0.31   0.01    -0.11  -0.23   0.00
    10   1     0.12  -0.19  -0.01     0.16  -0.13  -0.02     0.27  -0.14  -0.03
    11   6    -0.02   0.02   0.00     0.04  -0.01  -0.01     0.02  -0.01  -0.00
    12   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.01   0.00   0.01    -0.00   0.00   0.00
    14   1     0.15  -0.00  -0.00    -0.09   0.00   0.01    -0.05  -0.00   0.01
    15   1     0.00  -0.01   0.01     0.00   0.01   0.02     0.00   0.01   0.01
    16   1    -0.01  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    17   1     0.02  -0.00  -0.01    -0.01   0.00  -0.00    -0.01   0.00   0.00
    18   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.01     0.01  -0.00  -0.02     0.01  -0.01  -0.03
    21   6    -0.17  -0.19   0.01     0.23   0.06  -0.02    -0.19  -0.05   0.01
    22   6    -0.08   0.27   0.01    -0.20   0.10   0.02     0.13  -0.06  -0.01
    23   6     0.12  -0.18  -0.01     0.20  -0.10  -0.02    -0.20   0.07   0.02
    24   8     0.03  -0.01  -0.00     0.03  -0.01  -0.00    -0.01   0.01   0.00
    25   6    -0.01  -0.00   0.00     0.00   0.02  -0.00    -0.00  -0.01   0.00
    26   1    -0.06   0.18   0.01     0.19  -0.15  -0.02    -0.29   0.15   0.03
    27   1     0.17   0.15  -0.01    -0.14  -0.32   0.00     0.07   0.21  -0.00
    28   1    -0.35  -0.05   0.03    -0.31   0.04   0.03     0.30  -0.08  -0.03
    29   1     0.01   0.01   0.00    -0.04  -0.06   0.03     0.02   0.05  -0.03
    30   1    -0.02  -0.06   0.00    -0.00  -0.10  -0.00    -0.00   0.05   0.00
    31   1     0.01   0.01  -0.00    -0.05  -0.06  -0.03     0.02   0.04   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1838.0684              3011.2361              3015.4759
 Red. masses --     10.3678                 1.0345                 1.0817
 Frc consts  --     20.6376                 5.5267                 5.7951
 IR Inten    --    424.6515                47.0488                 9.3205
 RamAct Fr= 1--     23.8573               195.8415                71.4651
  Dep-P Fr= 1--      0.3258                 0.0485                 0.1604
  Dep-U Fr= 1--      0.4914                 0.0925                 0.2765
 Alpha2 Fr= 1--      0.2262                 3.8823                 1.0758
 Beta2  Fr= 1--      1.9540                 3.0198                 3.2935
 AlphaG Fr= 1--     -0.7621                 0.1439                 0.2658
 Gamma2 Fr= 1--     -3.9672                 0.2714                -1.1088
 Delta2 Fr= 1--     -0.3647                -0.2231                -0.5430
 Raman1 Fr= 1--      95.429                783.366                285.860
 ROA1   Fr= 1--    -392.517                 18.918               -123.821
 CID1   Fr= 1--      -4.113                  0.024                 -0.433
 Raman2 Fr= 1--      23.448                 36.238                 39.522
 ROA2   Fr= 1--     -92.294                  8.299                -22.267
 CID2   Fr= 1--      -3.936                  0.229                 -0.563
 Raman3 Fr= 1--      46.897                 72.476                 79.043
 ROA3   Fr= 1--    -392.517                 18.918               -123.821
 CID3   Fr= 1--      -8.370                  0.261                 -1.566
 RC180  Fr= 1--      -0.017                 -0.815                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.02   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02   0.00
     9   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.04   0.02  -0.01    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    12   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
    13   6     0.68  -0.29   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   1    -0.03   0.00  -0.06     0.00   0.01   0.00     0.10   0.99   0.02
    15   1     0.03  -0.03   0.05     0.00   0.00   0.00    -0.02  -0.00  -0.00
    16   1    -0.08   0.04   0.08    -0.00   0.00  -0.00     0.02  -0.01   0.02
    17   1     0.02  -0.02   0.04    -0.00  -0.00  -0.00    -0.01  -0.08  -0.00
    18   8    -0.43   0.18   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    19   8    -0.04   0.02  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1    -0.06  -0.01   0.45    -0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00     0.01  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00  -0.00    -0.15   0.31   0.58     0.00  -0.00  -0.01
    30   1    -0.00  -0.00   0.00     0.29  -0.03  -0.03    -0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.24   0.33  -0.53     0.00  -0.00   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3053.2206              3067.8399              3117.2994
 Red. masses --      1.0350                 1.1058                 1.1025
 Frc consts  --      5.6846                 6.1318                 6.3125
 IR Inten    --     16.5389                32.8522                15.5769
 RamAct Fr= 1--    184.9057                46.6027                37.0443
  Dep-P Fr= 1--      0.0223                 0.7500                 0.7392
  Dep-U Fr= 1--      0.0436                 0.8571                 0.8501
 Alpha2 Fr= 1--      3.8999                 0.0000                 0.0068
 Beta2  Fr= 1--      1.3446                 6.6575                 5.2483
 AlphaG Fr= 1--     -0.2052                 0.0163                 0.0140
 Gamma2 Fr= 1--      1.0866                 0.7114                -3.1873
 Delta2 Fr= 1--      4.1998                 0.9073                 1.0600
 Raman1 Fr= 1--     739.623                186.411                148.177
 ROA1   Fr= 1--     238.702                 97.329               -272.060
 CID1   Fr= 1--       0.323                  0.522                 -1.836
 Raman2 Fr= 1--      16.135                 79.890                 62.979
 ROA2   Fr= 1--      -7.521                  9.815                -84.975
 CID2   Fr= 1--      -0.466                  0.123                 -1.349
 Raman3 Fr= 1--      32.270                159.780                125.958
 ROA3   Fr= 1--     238.702                 97.329               -272.060
 CID3   Fr= 1--       7.397                  0.609                 -2.160
 RC180  Fr= 1--      -0.913                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    12   6     0.01  -0.02  -0.05     0.00  -0.00  -0.00     0.02  -0.08   0.04
    13   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.00   0.02  -0.00     0.00   0.00   0.00     0.01   0.08   0.00
    15   1    -0.46  -0.12   0.01    -0.00  -0.00   0.00     0.01  -0.02   0.01
    16   1     0.31  -0.27   0.50     0.00  -0.00   0.00    -0.32   0.26  -0.52
    17   1     0.05   0.59   0.03     0.00   0.00   0.00     0.06   0.73   0.06
    18   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.00  -0.09    -0.00   0.00   0.00
    26   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00    -0.17   0.34   0.59     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.02     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.27  -0.36   0.54    -0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.0637              3140.1022              3153.6382
 Red. masses --      1.1020                 1.0993                 1.0896
 Frc consts  --      6.3692                 6.3865                 6.3847
 IR Inten    --     16.6919                23.1130                10.5902
 RamAct Fr= 1--    159.7715               188.9549                62.2477
  Dep-P Fr= 1--      0.5101                 0.4069                 0.2661
  Dep-U Fr= 1--      0.6756                 0.5784                 0.4203
 Alpha2 Fr= 1--      0.7520                 1.3654                 0.7050
 Beta2  Fr= 1--     17.9900                18.2158                 4.3607
 AlphaG Fr= 1--      0.1610                -0.0861                 0.0784
 Gamma2 Fr= 1--      1.2710                -0.9619                 0.9229
 Delta2 Fr= 1--     -6.2074                -0.4267                -0.4108
 Raman1 Fr= 1--     639.086                755.820                248.991
 ROA1   Fr= 1--     -76.626               -106.001                 75.449
 CID1   Fr= 1--      -0.120                 -0.140                  0.303
 Raman2 Fr= 1--     215.880                218.590                 52.328
 ROA2   Fr= 1--      80.162                -19.673                 25.435
 CID2   Fr= 1--       0.371                 -0.090                  0.486
 Raman3 Fr= 1--     431.760                437.179                104.656
 ROA3   Fr= 1--     -76.626               -106.001                 75.449
 CID3   Fr= 1--      -0.177                 -0.242                  0.721
 RC180  Fr= 1--       0.351                  0.157                 -0.159
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.08   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.30   0.95  -0.01
     9   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00    -0.00  -0.00   0.00     0.01   0.04  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.08  -0.03  -0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1     0.00   0.03   0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    15   1     0.85   0.21  -0.03    -0.00  -0.00   0.00     0.01   0.00  -0.00
    16   1     0.16  -0.16   0.27    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.01   0.31   0.01    -0.00  -0.00  -0.00     0.00   0.01   0.00
    18   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00   0.00   0.00    -0.09   0.02   0.01     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.00
    27   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.00
    28   1     0.00   0.00  -0.00     0.01   0.03  -0.00    -0.00   0.00   0.00
    29   1     0.00  -0.00  -0.00     0.03  -0.08  -0.17    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.95  -0.10  -0.08    -0.00   0.00   0.00
    31   1     0.00  -0.00   0.00     0.06  -0.09   0.16    -0.00   0.00  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3166.0386              3172.5900              3183.4623
 Red. masses --      1.0864                 1.0883                 1.0946
 Frc consts  --      6.4164                 6.4537                 6.5358
 IR Inten    --      3.8297                 7.9899                 9.7452
 RamAct Fr= 1--     54.4668                83.3513               141.1563
  Dep-P Fr= 1--      0.7349                 0.5169                 0.1614
  Dep-U Fr= 1--      0.8472                 0.6815                 0.2779
 Alpha2 Fr= 1--      0.0141                 0.3796                 2.1198
 Beta2  Fr= 1--      7.6905                 9.4673                 6.5379
 AlphaG Fr= 1--      0.0280                -0.0212                -0.3772
 Gamma2 Fr= 1--     -0.0221                -0.6996                 1.2294
 Delta2 Fr= 1--     -1.0411                 0.2051                 3.2894
 Raman1 Fr= 1--     217.867                333.405                564.625
 ROA1   Fr= 1--     -35.439                -60.596                223.282
 CID1   Fr= 1--      -0.163                 -0.182                  0.395
 Raman2 Fr= 1--      92.286                113.608                 78.455
 ROA2   Fr= 1--       7.799                -18.430                  3.190
 CID2   Fr= 1--       0.085                 -0.162                  0.041
 Raman3 Fr= 1--     184.572                227.216                156.911
 ROA3   Fr= 1--     -35.439                -60.596                223.282
 CID3   Fr= 1--      -0.192                 -0.267                  1.423
 RC180  Fr= 1--       0.694                  0.363                 -0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.03   0.04   0.00     0.00  -0.00  -0.00     0.05  -0.05  -0.00
     6   6    -0.02  -0.06   0.00    -0.00   0.00   0.00    -0.02  -0.05   0.00
     7   6    -0.00  -0.00   0.00    -0.02  -0.08   0.00    -0.00   0.00   0.00
     8   1    -0.01  -0.03   0.00     0.03   0.08  -0.00    -0.01  -0.03   0.00
     9   1     0.41  -0.45  -0.04    -0.01   0.02   0.00    -0.53   0.58   0.05
    10   1     0.23   0.75  -0.01    -0.00  -0.01   0.00     0.18   0.58  -0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.01  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    17   1    -0.00  -0.03  -0.00     0.00   0.00   0.00     0.00   0.03   0.00
    18   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.00   0.00   0.00    -0.02   0.02   0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00     0.28   0.90  -0.00    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00     0.21  -0.23  -0.02    -0.01   0.01   0.00
    28   1    -0.01  -0.03  -0.00     0.01   0.02  -0.00    -0.01  -0.04  -0.00
    29   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3199.8583              3206.0767              3707.8465
 Red. masses --      1.0937                 1.0893                 1.0652
 Frc consts  --      6.5981                 6.5969                 8.6286
 IR Inten    --      5.2887                 8.4050               132.4937
 RamAct Fr= 1--    203.4689                81.4465               123.8777
  Dep-P Fr= 1--      0.2237                 0.2666                 0.2344
  Dep-U Fr= 1--      0.3656                 0.4209                 0.3797
 Alpha2 Fr= 1--      2.5928                 0.9211                 1.5332
 Beta2  Fr= 1--     12.3989                 5.7139                 7.8403
 AlphaG Fr= 1--     -0.1517                 0.0097                -2.4469
 Gamma2 Fr= 1--     -1.4064                 0.0681               -24.8492
 Delta2 Fr= 1--     -0.6803                -0.0982                -1.7022
 Raman1 Fr= 1--     813.876                325.786                495.511
 ROA1   Fr= 1--    -156.780                  3.393              -2439.992
 CID1   Fr= 1--      -0.193                  0.010                 -4.924
 Raman2 Fr= 1--     148.786                 68.567                 94.084
 ROA2   Fr= 1--     -28.310                  2.420               -582.763
 CID2   Fr= 1--      -0.190                  0.035                 -6.194
 Raman3 Fr= 1--     297.573                137.135                188.168
 ROA3   Fr= 1--    -156.780                  3.393              -2439.992
 CID3   Fr= 1--      -0.527                  0.025                -12.967
 RC180  Fr= 1--      -0.269                 -0.158                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.01  -0.03   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00   0.01  -0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    10   1    -0.00  -0.00   0.00     0.01   0.05  -0.00     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    16   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.02  -0.01
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.94  -0.32   0.12
    21   6     0.06  -0.06  -0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00   0.00    -0.02  -0.08   0.00     0.00  -0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    26   1     0.09   0.29  -0.00    -0.01  -0.02   0.00    -0.00  -0.00  -0.00
    27   1    -0.65   0.68   0.07    -0.01   0.01   0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01  -0.00     0.29   0.95  -0.00     0.00   0.00  -0.00
    29   1     0.00   0.00   0.00    -0.01   0.01   0.02    -0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.02   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1299.412138870.282849172.11716
           X            0.99989   0.00987  -0.01143
           Y           -0.00975   0.99990   0.01032
           Z            0.01153  -0.01020   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06666     0.00976     0.00944
 Rotational constants (GHZ):           1.38889     0.20346     0.19676
 Zero-point vibrational energy     658088.0 (Joules/Mol)
                                  157.28681 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     41.14    58.99    65.48   138.36   183.39
          (Kelvin)            200.12   270.18   301.59   306.82   316.68
                              347.02   409.61   433.12   550.71   576.29
                              594.82   653.13   702.38   716.93   753.01
                              767.25   778.67   835.77   867.34   923.41
                              981.87   999.95  1077.16  1124.44  1138.66
                             1171.81  1191.25  1200.75  1248.85  1271.29
                             1316.63  1365.58  1386.24  1402.42  1413.32
                             1456.96  1527.82  1566.87  1588.32  1656.51
                             1689.18  1691.96  1703.22  1715.46  1733.82
                             1762.07  1824.73  1846.27  1869.82  1871.47
                             1885.16  1928.83  1988.79  2027.59  2039.15
                             2051.36  2096.52  2124.41  2146.88  2148.59
                             2155.01  2167.20  2194.88  2224.79  2326.61
                             2379.07  2407.01  2644.57  4332.50  4338.60
                             4392.90  4413.94  4485.10  4506.34  4517.91
                             4537.38  4555.22  4564.65  4580.29  4603.88
                             4612.83  5334.76
 
 Zero-point correction=                           0.250652 (Hartree/Particle)
 Thermal correction to Energy=                    0.265855
 Thermal correction to Enthalpy=                  0.266799
 Thermal correction to Gibbs Free Energy=         0.207181
 Sum of electronic and zero-point Energies=           -767.722802
 Sum of electronic and thermal Energies=              -767.707600
 Sum of electronic and thermal Enthalpies=            -767.706655
 Sum of electronic and thermal Free Energies=         -767.766273
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.827             58.664            125.477
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.025
 Vibrational            165.049             52.702             50.250
 Vibration     1          0.593              1.984              5.925
 Vibration     2          0.594              1.981              5.210
 Vibration     3          0.595              1.979              5.004
 Vibration     4          0.603              1.952              3.531
 Vibration     5          0.611              1.926              2.984
 Vibration     6          0.615              1.914              2.816
 Vibration     7          0.632              1.857              2.250
 Vibration     8          0.642              1.826              2.047
 Vibration     9          0.644              1.821              2.016
 Vibration    10          0.647              1.810              1.958
 Vibration    11          0.658              1.777              1.794
 Vibration    12          0.683              1.702              1.505
 Vibration    13          0.693              1.672              1.411
 Vibration    14          0.752              1.507              1.028
 Vibration    15          0.766              1.469              0.961
 Vibration    16          0.777              1.441              0.915
 Vibration    17          0.812              1.352              0.784
 Vibration    18          0.844              1.276              0.688
 Vibration    19          0.854              1.254              0.662
 Vibration    20          0.878              1.198              0.602
 Vibration    21          0.888              1.176              0.580
 Vibration    22          0.896              1.159              0.563
 Vibration    23          0.938              1.073              0.484
 Vibration    24          0.961              1.026              0.445
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.504987D-95        -95.296720       -219.428806
 Total V=0       0.989286D+20         19.995322         46.040930
 Vib (Bot)       0.100010-109       -109.999955       -253.284256
 Vib (Bot)    1  0.724191D+01          0.859853          1.979884
 Vib (Bot)    2  0.504641D+01          0.702983          1.618677
 Vib (Bot)    3  0.454439D+01          0.657475          1.513893
 Vib (Bot)    4  0.213572D+01          0.329544          0.758803
 Vib (Bot)    5  0.160045D+01          0.204242          0.470286
 Vib (Bot)    6  0.146229D+01          0.165033          0.380003
 Vib (Bot)    7  0.106666D+01          0.028028          0.064537
 Vib (Bot)    8  0.947684D+00         -0.023336         -0.053734
 Vib (Bot)    9  0.930160D+00         -0.031443         -0.072399
 Vib (Bot)   10  0.898644D+00         -0.046412         -0.106868
 Vib (Bot)   11  0.812528D+00         -0.090162         -0.207605
 Vib (Bot)   12  0.673654D+00         -0.171563         -0.395038
 Vib (Bot)   13  0.631378D+00         -0.199710         -0.459850
 Vib (Bot)   14  0.471456D+00         -0.326559         -0.751930
 Vib (Bot)   15  0.444813D+00         -0.351822         -0.810101
 Vib (Bot)   16  0.426848D+00         -0.369727         -0.851327
 Vib (Bot)   17  0.376552D+00         -0.424174         -0.976698
 Vib (Bot)   18  0.340180D+00         -0.468292         -1.078281
 Vib (Bot)   19  0.330333D+00         -0.481048         -1.107653
 Vib (Bot)   20  0.307459D+00         -0.512213         -1.179415
 Vib (Bot)   21  0.298990D+00         -0.524343         -1.207345
 Vib (Bot)   22  0.292414D+00         -0.534002         -1.229584
 Vib (Bot)   23  0.262091D+00         -0.581548         -1.339063
 Vib (Bot)   24  0.246975D+00         -0.607347         -1.398468
 Vib (V=0)       0.195924D+06          5.292087         12.185480
 Vib (V=0)    1  0.775915D+01          0.889814          2.048872
 Vib (V=0)    2  0.557112D+01          0.745943          1.717596
 Vib (V=0)    3  0.507181D+01          0.705163          1.623698
 Vib (V=0)    4  0.269347D+01          0.430312          0.990829
 Vib (V=0)    5  0.217674D+01          0.337806          0.777827
 Vib (V=0)    6  0.204541D+01          0.310780          0.715598
 Vib (V=0)    7  0.167804D+01          0.224802          0.517625
 Vib (V=0)    8  0.157150D+01          0.196314          0.452029
 Vib (V=0)    9  0.155603D+01          0.192018          0.442137
 Vib (V=0)   10  0.152838D+01          0.184231          0.424207
 Vib (V=0)   11  0.145404D+01          0.162578          0.374349
 Vib (V=0)   12  0.133893D+01          0.126759          0.291874
 Vib (V=0)   13  0.130538D+01          0.115737          0.266495
 Vib (V=0)   14  0.118722D+01          0.074531          0.171614
 Vib (V=0)   15  0.116922D+01          0.067897          0.156339
 Vib (V=0)   16  0.115742D+01          0.063491          0.146192
 Vib (V=0)   17  0.112593D+01          0.051512          0.118612
 Vib (V=0)   18  0.110475D+01          0.043264          0.099619
 Vib (V=0)   19  0.109927D+01          0.041103          0.094643
 Vib (V=0)   20  0.108697D+01          0.036217          0.083392
 Vib (V=0)   21  0.108258D+01          0.034458          0.079344
 Vib (V=0)   22  0.107923D+01          0.033114          0.076247
 Vib (V=0)   23  0.106453D+01          0.027157          0.062531
 Vib (V=0)   24  0.105767D+01          0.024351          0.056069
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.368063D+07          6.565923         15.118595
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3           3333333333333                              111111111111111111111111111111111                                        
     7           2211111110000                              866655544444444333332222111111000999998888877766665555444443322222111    
     0           0087654316511                              3751420999752108410086209877508618764186321984984084329851080842118329442
     8           6033640278351                              8347666832776792101038552464149232539548584129522311338843131510308976619
 
     X           XXXXXXXXXXXXX                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXX
     X                    X  X                              XXX XXX     X   XXXXXXXX  X    X      X           X                      
     X                                                      XXX         X   XXXX XX        X                  X                      
     X                                                      X X             XXX  X                                                   
     X                                                      X X             XXX                                                      
     X                                                      X X             XX                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000337   -0.000000230    0.000000335
      2        6           0.000000126   -0.000000829   -0.000000408
      3        6          -0.000000338   -0.000002850   -0.000001340
      4        6          -0.000000405    0.000006186   -0.000001624
      5        6          -0.000000071   -0.000002378    0.000000403
      6        6           0.000000532   -0.000000032    0.000000343
      7        6          -0.000000966   -0.000000368   -0.000000839
      8        1          -0.000000105    0.000000407    0.000000498
      9        1           0.000000512    0.000000551   -0.000000024
     10        1           0.000000641    0.000001043    0.000000213
     11        6          -0.000002964   -0.000002527    0.000008114
     12        6          -0.000003050   -0.000001811   -0.000002639
     13        6           0.000006032    0.000002259   -0.000013425
     14        1           0.000001803    0.000000799    0.000000386
     15        1           0.000000234    0.000000900   -0.000000225
     16        1           0.000000817    0.000000267    0.000000771
     17        1           0.000001580   -0.000000032    0.000001236
     18        8          -0.000005136    0.000001087    0.000002887
     19        8          -0.000002103   -0.000000020    0.000009654
     20        1           0.000000498   -0.000000705   -0.000001911
     21        6           0.000000649   -0.000000930   -0.000000294
     22        6          -0.000000400    0.000000203    0.000000251
     23        6           0.000001767    0.000001201   -0.000000243
     24        8           0.000000428    0.000001491   -0.000000973
     25        6          -0.000001154   -0.000004218    0.000000231
     26        1          -0.000000035   -0.000000636    0.000000030
     27        1           0.000000034   -0.000000484   -0.000000252
     28        1           0.000001276    0.000000577   -0.000000102
     29        1          -0.000000129    0.000000253   -0.000000163
     30        1          -0.000000263    0.000000199   -0.000000333
     31        1          -0.000000145    0.000000627   -0.000000556
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013425 RMS     0.000002467
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.297612D+03 -0.875968D+01 -0.129542D+02
      2  -0.875968D+01  0.173486D+03  0.205088D+01
      3  -0.129542D+02  0.205088D+01  0.122618D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.285785D+01 -0.257346D+02  0.346599D+01
      2   0.451075D+02  0.826593D+00  0.283880D+02
      3   0.747955D+02  0.691601D+02 -0.265321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.270613D+03 -0.871520D+02  0.437466D+02
      2   0.865744D+02  0.678857D+02  0.720101D+01
      3   0.184039D+03  0.192663D+02 -0.509476D+02
      4  -0.790546D+02 -0.168818D+03 -0.141724D+01
      5  -0.356983D+02 -0.267249D+01  0.695251D+02
      6  -0.390974D+01 -0.469359D+02 -0.129430D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311960D+02 -0.154414D+01 -0.212388D+01  0.472308D+02 -0.809185D+01
      2  -0.154414D+01 -0.636215D+00  0.291616D+00 -0.809185D+01  0.895272D+01
      3  -0.212388D+01  0.291616D+00 -0.821356D-01 -0.373978D+01  0.775572D+00
                 6             7             8             9            10 
      1  -0.373978D+01 -0.118234D+01 -0.523879D-01  0.108707D+01 -0.355814D+02
      2   0.775572D+00 -0.523879D-01  0.157028D+00  0.132635D+01  0.201641D+01
      3  -0.395129D+00  0.108707D+01  0.132635D+01 -0.482847D-01  0.232414D+01
                11            12            13            14            15 
      1   0.201641D+01  0.232414D+01 -0.473724D+02  0.750871D+01  0.379716D+01
      2  -0.417446D+01 -0.211001D+00  0.750871D+01 -0.720047D+01 -0.835470D+00
      3  -0.211001D+00  0.217851D+00  0.379716D+01 -0.835470D+00  0.421393D+00
                16            17            18            19            20 
      1   0.176044D+01 -0.766440D-01 -0.112549D+01 -0.405660D+02  0.495197D+01
      2  -0.766440D-01  0.300693D+00 -0.110806D+01  0.495197D+01 -0.423120D+01
      3  -0.112549D+01 -0.110806D+01 -0.343764D-01  0.245391D+01 -0.278297D+00
                21            22            23            24            25 
      1   0.245391D+01  0.172812D+02 -0.216834D+01 -0.424890D+00  0.390838D+01
      2  -0.278297D+00 -0.216834D+01  0.314036D+01  0.263076D+00  0.143440D+00
      3  -0.403277D+00 -0.424890D+00  0.263076D+00  0.243374D+01  0.124140D+01
                26            27            28            29            30 
      1   0.143440D+00  0.124140D+01  0.436940D+02 -0.299329D+01 -0.177012D+01
      2   0.178190D+00  0.357001D+01 -0.299329D+01  0.367790D+01  0.262277D+00
      3   0.357001D+01 -0.434005D-01 -0.177012D+01  0.262277D+00  0.236124D+01
                31            32            33            34            35 
      1  -0.661615D+01  0.103293D+01  0.298399D+00 -0.145110D+01  0.108806D+00
      2   0.103293D+01 -0.754314D+01 -0.578202D+00  0.108806D+00 -0.901988D+00
      3   0.298399D+00 -0.578202D+00 -0.626503D+00  0.590955D+01 -0.648207D+00
                36            37            38            39            40 
      1   0.590955D+01  0.949803D+01 -0.708463D-01 -0.254855D+00 -0.625035D+01
      2  -0.648207D+00 -0.708463D-01  0.814143D+01  0.293169D+00  0.133875D+01
      3  -0.922399D+00 -0.254855D+00  0.293169D+00  0.240148D+01  0.423905D-01
                41            42            43            44            45 
      1   0.133875D+01  0.423905D-01 -0.872327D+00 -0.162766D+00  0.422997D+01
      2   0.370418D+01  0.148394D+00 -0.162766D+00 -0.579773D+00 -0.225357D+01
      3   0.148394D+00 -0.958432D+00  0.422997D+01 -0.225357D+01 -0.125742D+01
                46            47            48            49            50 
      1  -0.132435D+02  0.151456D+01  0.101925D+01 -0.864934D+00  0.103102D+01
      2   0.151456D+01 -0.517026D+01 -0.877151D+00  0.103102D+01 -0.211403D+00
      3   0.101925D+01 -0.877151D+00 -0.206772D+01 -0.427989D-02  0.382258D-02
                51            52            53            54            55 
      1  -0.427989D-02  0.975820D+00 -0.523782D+00 -0.115421D+01  0.146944D+02
      2   0.382258D-02 -0.523782D+00  0.597793D+00 -0.383702D+01 -0.348904D+01
      3  -0.174313D+01 -0.115421D+01 -0.383702D+01 -0.947622D-01 -0.984455D+00
                56            57            58            59            60 
      1  -0.348904D+01 -0.984455D+00 -0.109720D+01 -0.972477D+00  0.236052D+00
      2   0.991218D+01  0.652416D+00 -0.972477D+00 -0.580267D+00 -0.416716D-01
      3   0.652416D+00  0.230244D+01  0.236052D+00 -0.416716D-01  0.188437D+01
                61            62            63            64            65 
      1  -0.118433D+01  0.608693D+00  0.106304D+01  0.119137D+01  0.226237D+01
      2   0.608693D+00 -0.104171D+01  0.383794D+01  0.226237D+01  0.157752D+01
      3   0.106304D+01  0.383794D+01 -0.269984D+00 -0.799826D-01 -0.164057D+00
                66            67            68            69            70 
      1  -0.799826D-01  0.244715D+01  0.302052D+01 -0.111157D+00 -0.208547D+00
      2  -0.164057D+00  0.302052D+01  0.766971D+01 -0.222302D+00 -0.164875D+00
      3   0.175698D+00 -0.111157D+00 -0.222302D+00  0.816319D+00 -0.551009D-01
                71            72            73            74            75 
      1  -0.164875D+00 -0.551009D-01  0.645708D+01 -0.310907D+01 -0.645326D+00
      2  -0.353066D-01  0.182115D+00 -0.310907D+01  0.272910D+01  0.248889D+00
      3   0.182115D+00 -0.442333D-01 -0.645326D+00  0.248889D+00  0.594097D+00
                76            77            78            79            80 
      1  -0.388441D+01  0.407656D+01  0.413188D+00 -0.785672D+00  0.253282D+00
      2   0.407656D+01 -0.500150D+01 -0.448593D+00  0.253282D+00 -0.238455D+00
      3   0.413188D+00 -0.448593D+00 -0.699857D+00 -0.224870D+00 -0.292133D+00
                81            82            83            84            85 
      1  -0.224870D+00 -0.111460D+01 -0.155931D+01  0.442504D-01 -0.734486D+00
      2  -0.292133D+00 -0.155931D+01 -0.216709D+01  0.510683D-01 -0.147204D+01
      3  -0.312559D-01  0.442504D-01  0.510683D-01 -0.157780D+00 -0.698684D-01
                86            87            88            89            90 
      1  -0.147204D+01 -0.698684D-01  0.174009D+00  0.952053D-01  0.968698D-01
      2  -0.100814D+02 -0.137764D+00  0.952053D-01 -0.100447D-01 -0.217175D+00
      3  -0.137764D+00 -0.874439D+00  0.968698D-01 -0.217175D+00 -0.681883D-02
                91            92            93            94            95 
      1  -0.143505D+02  0.202818D+01 -0.256043D-03  0.215846D+01 -0.816903D+00
      2   0.202818D+01 -0.259795D+00 -0.390298D-01 -0.816903D+00 -0.522470D+01
      3  -0.256043D-03 -0.390298D-01 -0.365791D+01 -0.942906D+00 -0.669817D-01
                96            97            98            99           100 
      1  -0.942906D+00  0.262805D+00 -0.476562D+00 -0.773099D+01 -0.709495D+01
      2  -0.669817D-01 -0.476562D+00 -0.368832D+00  0.144408D+01 -0.244788D+01
      3   0.158523D+01 -0.773099D+01  0.144408D+01 -0.166122D-01  0.128205D+01
               101           102           103           104           105 
      1  -0.244788D+01  0.128205D+01 -0.598585D+01  0.637923D+00  0.946044D+00
      2   0.240948D+00 -0.250782D+00  0.637923D+00  0.465455D+01  0.127076D+01
      3  -0.250782D+00  0.364732D+01  0.946044D+00  0.127076D+01 -0.305870D+01
               106           107           108           109           110 
      1  -0.463374D+01  0.535762D+00  0.554158D+01 -0.562686D+01  0.209618D+01
      2   0.535762D+00  0.634779D+00 -0.239157D+01  0.209618D+01 -0.441285D+00
      3   0.554158D+01 -0.239157D+01 -0.256860D+00  0.302835D+00  0.214209D+00
               111           112           113           114           115 
      1   0.302835D+00  0.126740D+01 -0.380200D+00  0.514072D+00  0.666321D+01
      2   0.214209D+00 -0.380200D+00  0.823381D+00  0.337985D+00 -0.257329D+00
      3   0.166668D+01  0.514072D+00  0.337985D+00 -0.995627D+00  0.411768D+01
               116           117           118           119           120 
      1  -0.257329D+00  0.411768D+01 -0.105269D+01  0.142230D+01  0.997988D-01
      2   0.130286D+01 -0.520148D+00  0.142230D+01  0.824736D+00 -0.859521D-01
      3  -0.520148D+00  0.107230D+01  0.997988D-01 -0.859521D-01  0.837061D+00
               121           122           123           124           125 
      1   0.307225D+01  0.201412D+01 -0.225842D-01  0.549046D+00 -0.264475D-01
      2   0.201412D+01  0.677446D+01 -0.223324D+00 -0.264475D-01 -0.266235D-01
      3  -0.225842D-01 -0.223324D+00  0.136315D+01  0.123599D+01  0.891901D+00
               126           127           128           129           130 
      1   0.123599D+01  0.145497D+02  0.138478D+01 -0.329309D+01  0.297372D+01
      2   0.891901D+00  0.138478D+01  0.112688D+01 -0.176281D+00  0.153180D+01
      3  -0.253902D+00 -0.329309D+01 -0.176281D+00  0.204423D+01 -0.844149D+00
               131           132           133           134           135 
      1   0.153180D+01 -0.844149D+00 -0.109108D+01 -0.204476D+00  0.120050D+01
      2   0.263900D+00 -0.498097D+00 -0.204476D+00 -0.394672D-02  0.467951D+00
      3  -0.498097D+00  0.926069D+00  0.120050D+01  0.467951D+00 -0.540101D+00
               136           137           138           139           140 
      1  -0.541692D+00  0.619148D+00 -0.983622D+00  0.128455D+01 -0.868986D-01
      2   0.619148D+00 -0.619761D+00  0.479174D+00 -0.868986D-01  0.758829D+00
      3  -0.983622D+00  0.479174D+00 -0.300674D+01 -0.184325D+00 -0.162168D+01
               141           142           143           144           145 
      1  -0.184325D+00 -0.636145D+00  0.208495D-02 -0.554916D+00  0.565754D+00
      2  -0.162168D+01  0.208495D-02 -0.131750D+01  0.165916D+01 -0.792411D+00
      3   0.281791D+01 -0.554916D+00  0.165916D+01 -0.705578D+01 -0.946738D-01
               146           147           148           149           150 
      1  -0.792411D+00 -0.946738D-01 -0.235039D+01  0.768785D+00  0.931383D+00
      2   0.623983D-01  0.483739D-01  0.768785D+00 -0.623400D+01 -0.167453D+01
      3   0.483739D-01 -0.546122D+00  0.931383D+00 -0.167453D+01 -0.194050D+01
               151           152           153           154           155 
      1   0.316366D+00  0.247697D+00 -0.264392D+00  0.184873D+02 -0.334043D+01
      2   0.247697D+00 -0.752069D+00 -0.812048D+00 -0.334043D+01  0.189810D+01
      3  -0.264392D+00 -0.812048D+00 -0.701826D+00  0.820626D+00 -0.202315D+00
               156           157           158           159           160 
      1   0.820626D+00 -0.553384D+01  0.449539D+01 -0.486418D+00  0.138363D+01
      2  -0.202315D+00  0.449539D+01 -0.295758D+01  0.216878D+00 -0.368998D+00
      3   0.249721D+01 -0.486418D+00  0.216878D+00 -0.842404D+00  0.264145D+01
               161           162           163           164           165 
      1  -0.368998D+00  0.264145D+01  0.101236D+02 -0.116761D+01  0.359901D+01
      2  -0.424230D+00 -0.907449D+00 -0.116761D+01  0.966930D-01  0.166720D+00
      3  -0.907449D+00 -0.239426D+00  0.359901D+01  0.166720D+00  0.787512D+00
               166           167           168           169           170 
      1  -0.320185D+01  0.149804D+00 -0.552818D+00  0.170485D+01  0.371027D+00
      2   0.149804D+00  0.241188D+00  0.147700D+01  0.371027D+00  0.384174D+00
      3  -0.552818D+00  0.147700D+01 -0.360927D+00  0.756386D+00  0.258848D+00
               171           172           173           174           175 
      1   0.756386D+00 -0.925927D+01  0.950754D+00 -0.176155D+01  0.262682D+01
      2   0.258848D+00  0.950754D+00 -0.339268D+00 -0.158075D+00 -0.122100D+00
      3   0.726295D+01 -0.176155D+01 -0.158075D+00 -0.241395D+01  0.443151D+00
               176           177           178           179           180 
      1  -0.122100D+00  0.443151D+00 -0.486320D+01  0.722997D-01 -0.201325D+01
      2   0.590259D+00  0.675110D+00  0.722997D-01  0.937625D+00  0.243757D+00
      3   0.675110D+00  0.880787D+00 -0.201325D+01  0.243757D+00  0.411719D+00
               181           182           183           184           185 
      1  -0.126167D+02  0.878129D+00  0.373378D+00  0.527478D+01  0.257150D+00
      2   0.878129D+00 -0.104274D+02  0.139637D+00  0.257150D+00 -0.667928D+01
      3   0.373378D+00  0.139637D+00 -0.275611D+01 -0.173451D+00 -0.124748D+00
               186           187           188           189           190 
      1  -0.173451D+00  0.271408D+00  0.304375D+00 -0.495624D+01 -0.393936D+02
      2  -0.124748D+00  0.304375D+00  0.576623D+00  0.294183D+01  0.906908D+00
      3   0.140430D+01 -0.495624D+01  0.294183D+01  0.117816D+01  0.201212D+01
               191           192           193           194           195 
      1   0.906908D+00  0.201212D+01  0.146126D+02 -0.624067D+00 -0.840992D+00
      2  -0.706028D+01 -0.114919D+00 -0.624067D+00  0.138861D+02  0.153263D+00
      3  -0.114919D+00 -0.445541D+01 -0.840992D+00  0.153263D+00  0.398490D+00
               196           197           198           199           200 
      1   0.242747D+01  0.111382D+00 -0.684684D+01  0.405819D+02 -0.361909D+01
      2   0.111382D+00  0.902438D+00  0.610637D+00 -0.361909D+01  0.842295D+01
      3  -0.684684D+01  0.610637D+00  0.136385D+01 -0.287545D+01  0.309519D-01
               201           202           203           204           205 
      1  -0.287545D+01 -0.174506D+02 -0.308444D+00  0.103519D+01 -0.377114D+01
      2   0.309519D-01 -0.308444D+00 -0.509729D+01  0.954701D-01 -0.205927D-02
      3   0.591015D+00  0.103519D+01  0.954701D-01 -0.304322D+01  0.371228D+00
               206           207           208           209           210 
      1  -0.205927D-02  0.371228D+00  0.798188D+01  0.138441D+01 -0.487054D+00
      2  -0.690794D+00 -0.359511D+01  0.138441D+01  0.218709D+01  0.156251D-01
      3  -0.359511D+01 -0.268799D+00 -0.487054D+00  0.156251D-01  0.982810D+00
               211           212           213           214           215 
      1   0.244336D+01 -0.144493D+01 -0.341017D+00 -0.568737D+00 -0.115419D+00
      2  -0.144493D+01  0.202218D+01  0.187096D+00 -0.115419D+00 -0.155502D+00
      3  -0.341017D+00  0.187096D+00 -0.106739D+01 -0.240352D+00  0.335568D+00
               216           217           218           219           220 
      1  -0.240352D+00  0.431380D+01 -0.133926D+01 -0.553825D+00 -0.332006D+01
      2   0.335568D+00 -0.133926D+01 -0.275316D+01  0.467097D+00 -0.134591D+00
      3   0.144633D-01 -0.553825D+00  0.467097D+00 -0.230845D+01  0.759155D+00
               221           222           223           224           225 
      1  -0.134591D+00  0.759155D+00 -0.314043D+00  0.493980D+00  0.526231D+00
      2  -0.947507D+00 -0.235817D+00  0.493980D+00  0.176520D-01  0.420265D+01
      3  -0.235817D+00  0.587434D+01  0.526231D+00  0.420265D+01  0.439996D+00
               226           227           228           229           230 
      1   0.815300D+00  0.131898D+01 -0.476287D-01  0.412897D+00  0.834765D+00
      2   0.131898D+01  0.241409D+01 -0.485963D-01  0.834765D+00  0.106169D+02
      3  -0.476287D-01 -0.485963D-01  0.158695D+00  0.605925D-01  0.897826D-01
               231           232           233           234           235 
      1   0.605925D-01 -0.842587D-01 -0.626256D-01 -0.233031D+00 -0.714079D+01
      2   0.897826D-01 -0.626256D-01  0.269929D-01  0.289714D+00  0.455467D+01
      3   0.897263D+00 -0.233031D+00  0.289714D+00  0.498188D-01  0.637110D+00
               236           237           238           239           240 
      1   0.455467D+01  0.637110D+00  0.504715D+01 -0.511121D+01 -0.450175D+00
      2  -0.397676D+01 -0.402086D+00 -0.511121D+01  0.590523D+01  0.496814D+00
      3  -0.402086D+00 -0.693881D+00 -0.450175D+00  0.496814D+00  0.775034D+00
               241           242           243           244           245 
      1   0.800875D+00 -0.487138D+00  0.235329D+00 -0.129392D+01 -0.214264D+01
      2  -0.487138D+00  0.452173D+00  0.304703D+00 -0.214264D+01 -0.117857D+01
      3   0.235329D+00  0.304703D+00  0.657220D-01  0.307452D-01  0.142270D+00
               246           247           248           249           250 
      1   0.307452D-01 -0.329124D+01 -0.316550D+01  0.122376D+00 -0.176979D-02
      2   0.142270D+00 -0.316550D+01 -0.677110D+01  0.847442D-01  0.112352D+00
      3  -0.815103D-01  0.122376D+00  0.847442D-01 -0.613761D+00 -0.938570D-01
               251           252           253           254           255 
      1   0.112352D+00 -0.938570D-01 -0.501849D-01  0.198008D+00 -0.731962D+00
      2  -0.605404D-01  0.605012D-01  0.198008D+00  0.383563D+00  0.439256D-03
      3   0.605012D-01 -0.459738D-02 -0.731962D+00  0.439256D-03  0.966824D+00
               256           257           258           259           260 
      1  -0.706309D+00 -0.146435D+01 -0.989488D+00 -0.321301D+01 -0.185688D+01
      2  -0.146435D+01 -0.269466D+01 -0.193057D+01 -0.185688D+01 -0.239526D+01
      3  -0.989488D+00 -0.193057D+01 -0.243439D+01 -0.178327D+01 -0.265972D+01
               261           262           263           264           265 
      1  -0.178327D+01 -0.160165D+02 -0.134729D+01  0.108497D+01  0.100019D+01
      2  -0.265972D+01 -0.134729D+01 -0.111041D+01  0.644835D-01 -0.114946D+01
      3  -0.495579D+01  0.108497D+01  0.644835D-01 -0.116607D+01 -0.105254D+00
               266           267           268           269           270 
      1  -0.114946D+01 -0.105254D+00  0.111478D+01  0.666459D-01 -0.155671D+01
      2   0.192703D+00  0.122367D+00  0.666459D-01  0.126947D+00 -0.485686D+00
      3   0.122367D+00 -0.124763D+00 -0.155671D+01 -0.485686D+00  0.313684D+00
               271           272           273           274           275 
      1   0.793161D+00  0.474563D+00  0.603533D+00 -0.473210D+00 -0.118488D+01
      2   0.474563D+00  0.850344D+00 -0.559874D+00 -0.118488D+01 -0.297231D+01
      3   0.603533D+00 -0.559874D+00  0.156491D+01  0.684397D+00  0.224162D+01
               276           277           278           279 
      1   0.684397D+00  0.254834D+01  0.131136D+01 -0.142077D+01
      2   0.224162D+01  0.131136D+01  0.240661D+01 -0.289984D+01
      3  -0.269924D+01 -0.142077D+01 -0.289984D+01  0.487396D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.235016D+01  0.276277D+01 -0.620244D+00  0.515765D+01 -0.303718D+01
      2   0.632990D+01 -0.225146D+00 -0.141708D+01  0.104250D+02 -0.141565D+01
      3   0.335652D+02  0.251837D+02 -0.174017D+01  0.509500D+02 -0.155600D+02
                 6             7             8             9            10 
      1  -0.590631D+00 -0.400488D+01  0.679726D+01  0.256596D+00 -0.969267D+00
      2   0.143737D+01 -0.188885D+02  0.241791D+01  0.153094D+01 -0.110769D+02
      3  -0.377225D+01 -0.207454D+00 -0.320352D+01  0.202595D+01 -0.171327D+02
                11            12            13            14            15 
      1   0.411978D+01  0.322152D+00  0.234574D+01 -0.594936D+00  0.105571D+01
      2   0.317815D+00 -0.536108D+01 -0.111655D+02  0.161412D+01  0.941429D-02
      3   0.319981D+02  0.150554D+01  0.365831D+02 -0.217382D+02 -0.346347D+01
                16            17            18            19            20 
      1  -0.308702D+01  0.774821D+01  0.594384D+00 -0.357281D+01 -0.524656D+00
      2  -0.196922D+02  0.160832D+01  0.203798D+01 -0.119707D+02  0.213641D+01
      3   0.220455D+01 -0.385012D+01 -0.147387D+01 -0.425521D+02 -0.178924D+02
                21            22            23            24            25 
      1   0.110477D+01 -0.376048D+00 -0.127476D+01 -0.325283D+01 -0.530364D+01
      2   0.316632D+00  0.544271D+01 -0.106760D+01  0.204164D+01 -0.167507D+02
      3   0.240570D+01  0.156210D+02 -0.236072D+01 -0.422671D+00  0.250878D+01
                26            27            28            29            30 
      1   0.516335D+00 -0.131786D+01  0.925579D-01  0.838227D+00 -0.271486D+00
      2   0.668982D+01  0.131522D+01  0.133147D+02 -0.139387D+01  0.133767D+01
      3   0.192752D+01 -0.323469D+01  0.169971D+02  0.297529D+01 -0.818950D+00
                31            32            33            34            35 
      1   0.464640D+01  0.244476D+01  0.266375D+01 -0.186028D+01  0.125746D+02
      2  -0.702617D+00  0.417007D+00 -0.157170D+01 -0.138158D+02  0.977654D+00
      3   0.193603D+02  0.815805D+00 -0.223033D+00  0.936013D+00 -0.121046D+01
                36            37            38            39            40 
      1   0.910309D+00 -0.494752D+00 -0.196196D+01  0.503290D+01 -0.106266D+01
      2   0.159714D+01  0.137253D+01 -0.273294D+00  0.194991D+01 -0.293718D+01
      3   0.343515D+01 -0.214790D+02 -0.296908D+01  0.541364D+00 -0.438831D+01
                41            42            43            44            45 
      1  -0.184909D+01 -0.749461D+00  0.137589D+02  0.630141D+01 -0.900139D+00
      2   0.533573D+00 -0.127242D+01 -0.108268D+02 -0.557346D+01  0.120971D+01
      3  -0.580898D+01 -0.813595D+00 -0.479161D+00 -0.133483D+01 -0.424375D+01
                46            47            48            49            50 
      1   0.159410D+01 -0.839773D+00 -0.478532D+01 -0.115986D+01  0.156613D+01
      2  -0.413038D+01  0.351944D+00  0.121279D+01 -0.161666D-01  0.267765D+00
      3   0.387320D+02 -0.271558D+02 -0.234614D+01 -0.832269D+01  0.191737D+02
                51            52            53            54            55 
      1  -0.337177D+01 -0.788902D+01 -0.154403D+01  0.224167D+01  0.170472D+01
      2  -0.948385D+00 -0.166678D+02 -0.561203D+00  0.776270D+00 -0.145089D+00
      3   0.143681D+01 -0.322273D+01  0.286148D+01  0.522215D+01  0.267432D+02
                56            57            58            59            60 
      1  -0.312114D+01 -0.685209D+01  0.468791D-01  0.174600D+01 -0.391937D+01
      2  -0.104170D+01 -0.605013D+01  0.100783D+00 -0.341291D+00 -0.437337D+01
      3  -0.125305D+02 -0.807218D+00  0.418766D+00  0.179589D+02  0.314849D+00
                61            62            63            64            65 
      1  -0.730220D+01 -0.268893D+01  0.140181D+01 -0.477566D+00  0.878726D-01
      2  -0.211942D+02 -0.625165D+01  0.205564D+01  0.805275D-01  0.434657D+00
      3  -0.108927D+01  0.152544D+01  0.119308D+02  0.434871D+00  0.677313D+00
                66            67            68            69            70 
      1  -0.120467D+01 -0.558819D+00 -0.164160D+01 -0.401221D+01 -0.144617D+00
      2   0.428455D+00  0.583647D+00  0.550156D+00  0.148042D+01 -0.195769D+01
      3   0.738539D-01  0.492334D+01 -0.483453D+01 -0.176665D-01  0.139672D+00
                71            72            73            74            75 
      1   0.200222D+01  0.188611D+00 -0.630006D+00 -0.581421D+00  0.272608D+01
      2  -0.831724D+00 -0.144010D-01  0.206173D+01 -0.101352D+01  0.174934D+01
      3  -0.341940D+00  0.558722D+00 -0.956452D+01  0.123439D+00  0.898997D+00
                76            77            78            79            80 
      1  -0.994165D+00  0.126500D+01 -0.278352D+01 -0.171510D+01  0.140631D+01
      2  -0.121021D+01  0.105782D+01 -0.234716D+01 -0.273778D+01  0.689385D-01
      3   0.193942D+01  0.241178D+01  0.118934D+00  0.183052D+01  0.128412D+00
                81            82            83            84            85 
      1   0.196877D-02  0.819012D+00  0.932035D+00 -0.123621D+01  0.396596D+00
      2   0.113019D-01 -0.348006D+00 -0.366303D+00  0.655680D+00 -0.225502D+00
      3   0.283354D+00  0.532734D+01  0.237666D+01 -0.283628D+00  0.542412D+01
                86            87            88            89            90 
      1   0.278290D+01 -0.446020D+01  0.118374D+01  0.199136D+01 -0.321905D-01
      2  -0.499789D+00  0.985235D+00 -0.747359D+00  0.947566D+00  0.517774D-01
      3   0.357985D+01  0.613816D-01 -0.527867D+00 -0.264692D+00 -0.972127D+00
                91            92            93            94            95 
      1  -0.268269D+01  0.839231D+00  0.882168D+00  0.239793D+01  0.228663D+01
      2  -0.105164D+02  0.130729D+01 -0.874545D+01 -0.165009D+00 -0.125191D+01
      3  -0.112921D+02 -0.298047D+01 -0.166171D+00  0.117984D+02  0.231416D+02
                96            97            98            99           100 
      1  -0.279203D+01  0.296079D+01  0.370202D+01 -0.120180D+01  0.459796D+01
      2   0.433779D+01 -0.355806D+02  0.519833D+01 -0.356528D+01 -0.127402D+02
      3  -0.568355D+00  0.520200D+00  0.873209D+00 -0.898158D+01  0.147824D+02
               101           102           103           104           105 
      1  -0.224944D+01  0.618918D+00  0.412746D+00 -0.112252D+02 -0.677314D+01
      2  -0.470035D+01  0.220390D+02 -0.318834D+01  0.607447D+01 -0.117587D+02
      3  -0.554692D+01 -0.623944D+00 -0.305518D+00 -0.236423D+02 -0.604960D+01
               106           107           108           109           110 
      1  -0.120008D+01 -0.958232D+00  0.733378D+01  0.484436D+01 -0.186923D+01
      2   0.156208D+02 -0.962468D+01  0.844165D+01  0.158659D+02 -0.237512D+01
      3  -0.366209D+01 -0.493790D+01  0.114105D+02  0.124638D+01  0.119679D+02
               111           112           113           114           115 
      1  -0.810075D+01 -0.112092D+02  0.310859D+01 -0.143079D+02 -0.675921D+01
      2   0.541786D+01 -0.537094D+00  0.194690D+01  0.551207D+01  0.107281D+02
      3   0.272005D+01  0.166351D+02 -0.140637D+02  0.117225D+01  0.491811D+01
               116           117           118           119           120 
      1  -0.423312D+01 -0.245979D+01 -0.708887D+00 -0.723584D+00 -0.329612D+00
      2   0.151949D+01  0.299633D+01 -0.806578D-01  0.472805D+00  0.349198D+01
      3  -0.101606D+01  0.430747D+01 -0.742233D+01 -0.275236D+01  0.172133D+00
               121           122           123           124           125 
      1  -0.900941D+00 -0.387114D+01 -0.264284D+01 -0.216736D+00  0.240444D+00
      2   0.108034D+01  0.807374D+00  0.438691D+01  0.250754D+01  0.264364D+01
      3  -0.177976D+01 -0.245867D+02  0.590235D+00  0.718204D+00 -0.488339D-01
               126           127           128           129           130 
      1   0.216800D-01 -0.227821D+01 -0.318810D+01 -0.120240D+00 -0.304815D+01
      2  -0.282910D+00  0.126586D+02  0.196041D+01  0.600708D+01  0.169645D+01
      3  -0.229601D+01 -0.568394D+01 -0.779233D+01  0.653851D+00 -0.547769D+01
               131           132           133           134           135 
      1  -0.558690D-01 -0.539469D-01  0.658122D+00  0.896716D+00 -0.103685D+01
      2   0.528459D+00  0.294153D+01  0.215310D+01  0.130225D+01  0.464878D-01
      3  -0.501399D+00  0.192377D+01  0.637638D+00  0.159384D+01 -0.188037D+01
               136           137           138           139           140 
      1  -0.188173D+01  0.273562D+01 -0.899341D+00  0.101837D+01 -0.211937D+01
      2  -0.745182D+01  0.345449D+01 -0.131287D+02  0.253327D+01 -0.672845D+01
      3  -0.312539D+01  0.240786D+01 -0.188267D+01  0.211074D+01 -0.254428D+01
               141           142           143           144           145 
      1   0.217303D+01 -0.119101D+00  0.488155D+01 -0.372527D+01  0.277784D+01
      2   0.109097D+02 -0.659209D+01  0.715891D+01 -0.285953D+02 -0.242861D-01
      3   0.608003D+01  0.184345D-01  0.456508D+01 -0.659541D+01  0.516843D+01
               146           147           148           149           150 
      1   0.351854D+00 -0.521093D+00 -0.200797D+00  0.145357D+02  0.428708D+00
      2  -0.125059D+01 -0.178754D+01 -0.985159D+00 -0.561893D+01 -0.607441D+01
      3   0.464822D+00 -0.700968D+00  0.150841D+01  0.273813D+02  0.616783D+01
               151           152           153           154           155 
      1  -0.792919D+00  0.236258D+01  0.146909D+01 -0.429796D+01  0.253512D+01
      2  -0.141402D+01 -0.254334D+01 -0.302276D+01 -0.964183D+01  0.178302D+01
      3  -0.215672D+01  0.266787D+01  0.354110D+01  0.122168D+02 -0.210975D+02
               156           157           158           159           160 
      1   0.416687D+01  0.787907D+01 -0.387186D+01 -0.508892D+00  0.188653D+01
      2   0.200955D+02 -0.222271D+01 -0.203174D+01 -0.866414D+01  0.765086D+01
      3  -0.219793D+00 -0.175962D+02  0.178583D+02 -0.154110D+01  0.354434D+00
               161           162           163           164           165 
      1   0.300010D+01 -0.720240D+00 -0.582481D+01  0.190103D+01  0.106463D+01
      2  -0.387251D+01 -0.238747D+01 -0.883775D+01  0.385407D+01  0.510472D+00
      3  -0.837724D+00  0.362277D+01  0.856505D+01 -0.431867D+01  0.259198D+00
               166           167           168           169           170 
      1   0.526587D+01 -0.271722D+00  0.461935D+01 -0.179933D+01  0.853906D+01
      2   0.559048D+01  0.535889D+01 -0.253217D+01 -0.691687D+01  0.902766D+00
      3  -0.162993D+01 -0.370131D-01 -0.728851D+01 -0.384358D+00 -0.203023D+01
               171           172           173           174           175 
      1  -0.670548D+00  0.649096D+01 -0.216341D+01  0.135563D+01 -0.567125D+01
      2   0.250013D+02  0.199048D+02 -0.334338D+01 -0.507800D+01 -0.530539D+01
      3  -0.109193D+01 -0.761078D+01  0.235599D+01 -0.945758D+00  0.640001D+01
               176           177           178           179           180 
      1   0.633041D+00 -0.237754D+01  0.191914D+01 -0.573471D+00  0.952257D+00
      2   0.302917D+01  0.225318D+01 -0.734870D+00  0.401694D+00  0.283414D+01
      3  -0.113030D+01 -0.775343D+00 -0.338035D+01  0.329843D+00 -0.161234D+01
               181           182           183           184           185 
      1   0.271393D-01  0.147898D+01  0.722504D+01 -0.776673D+00 -0.878900D+00
      2  -0.121997D+01 -0.330223D+00  0.896145D+01  0.854097D+00  0.128194D+01
      3  -0.216575D+02 -0.118201D+02  0.958994D+00 -0.185132D+01 -0.249818D+02
               186           187           188           189           190 
      1  -0.127738D+01  0.156264D+02  0.641111D+01 -0.245940D+01 -0.178334D+01
      2  -0.339759D+01  0.168723D+01 -0.106121D+02 -0.241270D+01 -0.799594D+01
      3  -0.469847D+00  0.449751D+00 -0.624993D+00 -0.158405D+01 -0.248693D+02
               191           192           193           194           195 
      1   0.397356D+01  0.515183D+00  0.407280D+01 -0.121919D+01  0.497647D+01
      2  -0.331830D+00  0.465577D+01  0.249952D+01 -0.123147D+01 -0.870712D+00
      3   0.155664D+02  0.235196D+01  0.451064D+02  0.231034D+02 -0.347344D+01
               196           197           198           199           200 
      1  -0.220263D+01  0.128318D+02  0.528728D+00  0.357688D+00 -0.300769D+01
      2   0.340975D+01 -0.216860D+01 -0.200120D+01  0.833613D+01  0.170604D+00
      3   0.278992D+01 -0.168556D+01  0.910046D-02  0.770548D+01 -0.197166D+02
               201           202           203           204           205 
      1   0.310937D+00 -0.103572D+01  0.955039D+00 -0.401579D+01 -0.126008D+01
      2   0.176808D+01 -0.267533D+01 -0.391589D+00  0.714711D+01 -0.212253D+02
      3  -0.149971D+01 -0.128354D+02 -0.133521D+01  0.177350D+01 -0.166574D+01
               206           207           208           209           210 
      1   0.285535D+01  0.327840D+00  0.146244D+01 -0.349325D+01 -0.979186D+00
      2   0.121919D+02  0.189954D+01  0.169123D+01  0.518494D+00  0.847938D+01
      3   0.178677D+01 -0.657230D+01  0.210864D+02 -0.347481D+02 -0.218294D+01
               211           212           213           214           215 
      1  -0.153485D+00  0.235412D+00 -0.758614D+01  0.355658D+01  0.222937D+00
      2   0.130685D+01 -0.528713D+00  0.857707D+01 -0.487131D+01 -0.399845D+01
      3   0.322932D+01  0.591963D+01  0.493150D+00 -0.174586D+01  0.301549D+01
               216           217           218           219           220 
      1  -0.334033D+00 -0.189095D+01  0.546765D+00 -0.364927D+01  0.307952D+00
      2  -0.376872D+00  0.257907D+01 -0.234197D+01  0.128715D+02 -0.351205D+01
      3   0.134410D+01 -0.303277D+02 -0.130771D+02  0.554319D+01 -0.497151D+01
               221           222           223           224           225 
      1   0.951237D+00  0.102051D+02  0.870529D+01  0.112204D+02  0.183131D+01
      2   0.100635D+01 -0.344480D+02 -0.239688D+01 -0.233073D+02 -0.268784D+01
      3   0.144435D+02 -0.138979D+01  0.457204D+01 -0.981988D+00  0.308050D+02
               226           227           228           229           230 
      1   0.300790D+00  0.262846D+00 -0.139732D+01 -0.139082D+00 -0.232491D+00
      2   0.297005D-01  0.107587D+00  0.284489D+00 -0.127337D+00 -0.339280D+00
      3   0.741638D+01  0.666716D+01 -0.389278D+00  0.554926D+01  0.224830D+02
               231           232           233           234           235 
      1  -0.490326D+01  0.940947D+00  0.194196D+01 -0.121322D+00 -0.969234D+00
      2  -0.643566D+00  0.111007D+00  0.291134D-01 -0.103805D+00 -0.154095D+01
      3   0.333390D+00 -0.613455D+00 -0.248531D+00 -0.350944D+00 -0.343220D+00
               236           237           238           239           240 
      1   0.276713D+00  0.263253D+01  0.349973D+00 -0.172273D+00 -0.311940D+01
      2   0.992485D+00  0.378627D+01  0.102866D+01 -0.127841D+01 -0.400127D+01
      3  -0.669154D+01 -0.114822D+00 -0.666124D+01  0.121870D+02  0.890291D+00
               241           242           243           244           245 
      1  -0.263043D+01  0.975332D+00  0.139883D-01  0.227304D+00  0.308603D+00
      2  -0.302226D+01 -0.121233D+01 -0.193702D+00 -0.322839D+00 -0.540488D+00
      3   0.205159D+00  0.671733D+00  0.145697D+01 -0.202992D+01 -0.147759D+01
               246           247           248           249           250 
      1  -0.610072D+00  0.476977D+00  0.199735D+00 -0.314337D+01 -0.445909D+00
      2   0.352523D+00 -0.518137D+00 -0.304169D+00  0.192325D+01 -0.156705D+01
      3   0.172224D+00 -0.511358D-01 -0.164402D+02 -0.144005D+00  0.208121D+00
               251           252           253           254           255 
      1   0.165277D+01  0.430466D-01 -0.841913D+00  0.133838D+00  0.213205D+01
      2  -0.131941D+01  0.458730D-01  0.572509D+01  0.400027D+00 -0.465613D+01
      3  -0.423965D+00  0.515499D+00 -0.104617D+01  0.430628D+01  0.185311D+01
               256           257           258           259           260 
      1  -0.102738D+01 -0.281917D+01 -0.537533D+01 -0.311653D+01 -0.258697D+01
      2   0.477985D+01  0.101979D+02  0.136285D+02  0.519893D+01  0.144973D+02
      3  -0.446183D+01 -0.178674D+02 -0.117254D+02 -0.554248D+01 -0.149284D+02
               261           262           263           264           265 
      1  -0.969699D+01  0.111814D+01 -0.477504D+00 -0.155739D+01 -0.310376D+00
      2   0.267272D+02 -0.248757D+01 -0.537937D-01  0.887665D+01  0.406352D+00
      3  -0.180600D+02  0.117625D+02 -0.843083D+01 -0.109353D+01 -0.568265D+01
               266           267           268           269           270 
      1   0.215072D+00 -0.932568D+00 -0.199311D+01 -0.276520D+00  0.211173D+00
      2  -0.428890D+00  0.796624D+00  0.693921D+01  0.251481D+01 -0.152934D+01
      3   0.248201D+01  0.758611D+00 -0.116746D+01  0.102403D+01 -0.194882D+01
               271           272           273           274           275 
      1   0.538945D+00  0.116302D+00  0.304444D+01  0.330724D+00  0.118644D+01
      2  -0.589966D+01  0.234253D+01 -0.771604D+01 -0.283433D+01 -0.112140D+02
      3  -0.122367D+01  0.718459D+01 -0.531740D+01 -0.271217D+01 -0.198799D+02
               276           277           278           279 
      1  -0.448104D+01 -0.174289D+01 -0.146801D+01  0.737113D+01
      2   0.145357D+02  0.276317D+01  0.151791D+02 -0.249388D+02
      3   0.135570D+02  0.283345D+01  0.149990D+02 -0.195705D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.703437D+02  0.270488D+02  0.412627D+01 -0.882313D+02 -0.289504D+01
      2   0.345059D+02 -0.186096D+02 -0.275481D+01  0.352322D+02  0.152739D+02
      3   0.358378D+02 -0.843923D+01 -0.137146D+01  0.529991D+02 -0.123788D+02
      4  -0.346400D+01  0.213015D+02  0.984599D+00  0.122809D+02 -0.254444D+02
      5  -0.404232D+00 -0.161195D+01 -0.374430D+01 -0.415936D+01  0.185282D+01
      6   0.405740D+00 -0.155100D+01  0.160440D+01  0.218941D+01 -0.165491D+01
                 6             7             8             9            10 
      1   0.712184D+01  0.414089D+01 -0.188875D+01 -0.100873D+02  0.708619D+02
      2  -0.251424D+01 -0.253328D+01  0.218619D+01 -0.208846D+00 -0.189258D+02
      3  -0.460759D+01 -0.160761D+01 -0.297442D+00  0.102962D+02 -0.519361D+02
      4  -0.146140D+01  0.300112D+00 -0.194379D+01 -0.187372D+01  0.378742D+02
      5   0.440743D+01  0.112293D+01 -0.948117D+00  0.170790D+01  0.116805D+01
      6  -0.629126D+00  0.303562D+01  0.513583D+01 -0.935413D+00 -0.296575D+01
                11            12            13            14            15 
      1   0.236905D+02 -0.648931D+01  0.972930D+02 -0.237167D+02 -0.746125D+01
      2  -0.186874D+02  0.780549D+00 -0.374114D+02  0.157583D+02  0.341929D+01
      3  -0.500308D+01  0.570876D+01 -0.598816D+02  0.795844D+01  0.404196D+01
      4   0.160734D+02 -0.157462D+01 -0.287916D+02  0.193649D+02  0.200605D+01
      5  -0.152994D+01 -0.128068D+02  0.290164D+01 -0.473351D+00 -0.191853D+01
      6   0.826932D-01  0.437681D+00 -0.970301D+00  0.211480D+01 -0.270201D+01
                16            17            18            19            20 
      1  -0.425882D+01 -0.204187D+01 -0.601543D+01  0.457382D+02 -0.332498D+02
      2   0.177435D-01  0.142827D+01 -0.269419D+01 -0.172463D+02  0.204426D+02
      3   0.424108D+01  0.613605D+00  0.870962D+01 -0.284920D+02  0.128072D+02
      4  -0.324943D+01 -0.740537D+00  0.441499D+01 -0.799378D+01 -0.267959D+02
      5   0.161316D+01  0.265438D+01  0.289393D+01  0.375731D+01  0.173333D+01
      6   0.216823D+01  0.391514D+01 -0.296351D+00 -0.768413D+00  0.534446D+01
                21            22            23            24            25 
      1  -0.676012D+01  0.125796D+02  0.188374D+02  0.274968D+01 -0.434140D+01
      2   0.296948D+01 -0.233861D+02 -0.242346D+02  0.365554D+00  0.835348D+00
      3   0.379064D+01  0.108065D+02  0.539715D+01 -0.311523D+01  0.350605D+01
      4   0.437336D+00  0.100433D+02 -0.100996D+01 -0.353537D+00  0.234761D+01
      5  -0.212252D+01 -0.261647D+01  0.102447D+00  0.751378D+01  0.102866D+02
      6  -0.808753D+00  0.567023D+00 -0.214759D+01  0.670589D+01  0.272827D+01
                26            27            28            29            30 
      1   0.783668D+01 -0.117138D+02  0.101812D+02 -0.469971D+01  0.304548D+01
      2  -0.307782D+01 -0.208327D+00 -0.281432D+02  0.407580D+01 -0.578964D-02
      3  -0.475886D+01  0.119221D+02  0.179620D+02  0.623907D+00 -0.303969D+01
      4   0.214388D+01  0.650685D+01 -0.617455D+00  0.142594D+02  0.231736D+00
      5   0.840824D+01  0.224151D+01 -0.910194D+01  0.198671D+01  0.930930D+01
      6   0.132076D+02 -0.232370D+01  0.134050D+01 -0.231041D+01  0.219511D+01
                31            32            33            34            35 
      1   0.401182D+02 -0.499264D+02 -0.217584D+01  0.524050D+01 -0.229159D+01
      2  -0.290653D+02  0.439286D+02  0.206869D+01 -0.903177D-01  0.133217D+01
      3  -0.110529D+02  0.599779D+01  0.107146D+00 -0.515018D+01  0.959418D+00
      4  -0.312492D+02 -0.185068D+02  0.706528D+00 -0.242120D+01 -0.107145D+01
      5  -0.159832D+01  0.204871D+01 -0.250289D+01  0.296973D+02 -0.383794D+01
      6   0.115951D+01  0.528272D+01 -0.471060D+01  0.399748D+01  0.304277D+01
                36            37            38            39            40 
      1   0.248912D+00 -0.201762D+02  0.541891D+02  0.473008D+01 -0.392851D+02
      2  -0.110108D+02  0.101806D+02 -0.370425D+02 -0.101831D+01  0.392695D+02
      3   0.107619D+02  0.999552D+01 -0.171466D+02 -0.371177D+01  0.156035D-01
      4  -0.685971D+00  0.278206D+02  0.686734D+01 -0.285185D+01  0.176326D+02
      5  -0.149389D+01  0.945031D+00 -0.489545D+01  0.468851D+01  0.323713D+01
      6  -0.972608D+00 -0.394070D+01 -0.433883D+01 -0.961757D+01 -0.127478D+01
                41            42            43            44            45 
      1   0.284717D+02  0.141069D+01  0.320649D+01 -0.598421D+01 -0.116357D+02
      2  -0.267978D+02 -0.292880D+01  0.250180D+01  0.156974D+01 -0.171566D+01
      3  -0.167387D+01  0.151811D+01 -0.570829D+01  0.441447D+01  0.133513D+02
      4   0.258400D+02  0.683306D-01 -0.394774D+01  0.123807D+01 -0.608446D+01
      5  -0.135879D+01 -0.700935D+01  0.144928D+02 -0.643615D+01 -0.227498D+01
      6  -0.399011D+01  0.222069D+01 -0.170031D+02  0.871311D+01  0.453334D+01
                46            47            48            49            50 
      1   0.297427D+02 -0.457585D+02 -0.661967D+01  0.849734D+01  0.108042D+02
      2  -0.217963D+02  0.304122D+02  0.210543D+01 -0.744214D+01 -0.197236D+02
      3  -0.794647D+01  0.153463D+02  0.451424D+01 -0.105520D+01  0.891933D+01
      4  -0.331279D+02 -0.163915D+02  0.229043D+01  0.194474D+02 -0.755496D+01
      5   0.248558D+01  0.262942D+01  0.899337D+00  0.477820D+00 -0.727584D+00
      6   0.252009D+01  0.622869D+01  0.783690D+01 -0.119212D+01 -0.517949D+00
                51            52            53            54            55 
      1  -0.601922D+00 -0.448244D+01  0.310273D+01 -0.197670D+02 -0.206102D+02
      2  -0.956228D+00  0.238100D+01 -0.511611D+01  0.755745D+01  0.304137D+01
      3   0.155815D+01  0.210144D+01  0.201339D+01  0.122096D+02  0.175688D+02
      4  -0.987915D+00  0.352699D+01  0.317727D+01  0.125737D+01  0.169805D+02
      5  -0.763203D-01  0.405690D+01  0.577905D-01  0.241624D+01 -0.367781D+01
      6   0.835956D+01  0.409281D+01  0.194157D+02  0.155566D+01  0.148171D+01
                56            57            58            59            60 
      1  -0.372761D+02 -0.230679D+01  0.111656D+01  0.183606D+02  0.339786D+00
      2   0.324554D+02  0.153008D+01 -0.346373D+01 -0.240265D+02 -0.313835D+00
      3   0.482066D+01  0.776708D+00  0.234716D+01  0.566592D+01 -0.259509D-01
      4  -0.591930D+02 -0.214614D+01  0.150692D+02 -0.620336D+01  0.706397D-02
      5   0.202021D+01 -0.106972D+02  0.479145D+00 -0.341361D+00 -0.664133D+01
      6   0.301647D+01  0.123258D+02 -0.352949D+00 -0.626937D+00  0.992225D+01
                61            62            63            64            65 
      1  -0.309486D+00  0.325046D+01 -0.267615D+02 -0.140572D+01 -0.377534D+01
      2   0.892873D+00 -0.371431D+01  0.131782D+02  0.558769D+01  0.621923D+01
      3  -0.583387D+00  0.463850D+00  0.135833D+02 -0.418197D+01 -0.244389D+01
      4  -0.173466D+01  0.760430D+01 -0.105849D+02  0.842661D+01  0.118048D+02
      5  -0.214648D+01 -0.148638D+02  0.369151D+01 -0.692354D+00 -0.688226D+00
      6   0.408474D+01  0.233441D+02 -0.198321D+01 -0.125404D+01 -0.139657D+01
                66            67            68            69            70 
      1   0.154934D+00 -0.812629D+01 -0.300671D+02  0.114574D+01 -0.809364D+00
      2  -0.676596D-01  0.122918D+02  0.396779D+02 -0.763421D+00  0.503581D+00
      3  -0.872746D-01 -0.416554D+01 -0.961083D+01 -0.382322D+00  0.305783D+00
      4  -0.425504D+00  0.128316D+02  0.217997D+02 -0.444827D+00 -0.350909D+00
      5   0.151488D+01 -0.474333D+00  0.322343D+00  0.241942D+01  0.688243D-01
      6   0.154555D+01 -0.162814D+01 -0.471342D+01  0.618065D+01  0.165485D+01
                71            72            73            74            75 
      1  -0.223786D+00 -0.310058D+01  0.760578D+01  0.155934D+01 -0.158447D+00
      2   0.141062D+00  0.354186D+01  0.866195D+00 -0.776940D+01  0.290938D+00
      3   0.827246D-01 -0.441279D+00 -0.847197D+01  0.621007D+01 -0.132492D+00
      4  -0.460901D+00  0.993157D+00 -0.221025D+02  0.179824D+02  0.152335D+01
      5   0.213346D+00 -0.315275D+00 -0.516999D+01  0.197666D+01  0.461709D+01
      6   0.285268D+01 -0.287717D+00  0.278127D+01 -0.237572D+01 -0.266434D+01
                76            77            78            79            80 
      1   0.494460D+01 -0.123689D+02 -0.153319D+01 -0.915573D+00 -0.645457D+00
      2  -0.130912D+02  0.217412D+02  0.121396D+01  0.721906D-01  0.713388D+00
      3   0.814664D+01 -0.937231D+01  0.319229D+00  0.843382D+00 -0.679316D-01
      4   0.232276D+02 -0.252404D+02 -0.205291D+01  0.171307D+01 -0.134987D+01
      5   0.267677D+01 -0.243246D+01 -0.350320D+01  0.919819D+00 -0.161846D+01
      6  -0.371651D+01  0.462043D+01  0.485647D+01  0.501164D+00  0.239772D+01
                81            82            83            84            85 
      1   0.108458D+00 -0.380398D+01 -0.792572D+01  0.264809D+00 -0.613068D+01
      2   0.851515D+00  0.656809D+01  0.114549D+02 -0.201998D+00  0.781032D+01
      3  -0.959973D+00 -0.276410D+01 -0.352920D+01 -0.628116D-01 -0.167964D+01
      4  -0.256740D+01  0.478691D+01  0.121687D+02  0.233437D+00  0.768695D+01
      5  -0.573206D+00  0.828243D+00  0.125884D+01  0.180309D+01  0.775732D+00
      6   0.581880D+00  0.620445D+00  0.427668D+00  0.165377D+01  0.838449D+00
                86            87            88            89            90 
      1  -0.458641D+02 -0.861047D+00  0.620300D+00  0.110779D+00 -0.184397D+01
      2   0.607751D+02  0.455548D+00 -0.449653D+00 -0.620187D-01  0.238955D+01
      3  -0.149110D+02  0.405499D+00 -0.170647D+00 -0.487605D-01 -0.545582D+00
      4   0.144441D+02  0.355788D+00 -0.171183D+00 -0.659812D+00  0.211606D+01
      5   0.291037D+01  0.105346D+01  0.941603D+00  0.165159D+01  0.139526D-02
      6   0.454469D+01  0.709522D+01 -0.157824D+00  0.320419D+01 -0.388156D-01
                91            92            93            94            95 
      1  -0.772831D+01  0.786614D+01 -0.103712D+02  0.115866D+02  0.864256D+01
      2   0.166273D+02 -0.812821D+01 -0.820440D+00 -0.143536D+02 -0.174611D+02
      3  -0.889904D+01  0.262077D+00  0.111916D+02  0.276696D+01  0.881850D+01
      4   0.950890D+01 -0.283766D+01 -0.471032D+00 -0.624033D+01 -0.430198D+02
      5  -0.836941D+00 -0.195893D+01 -0.260447D+02 -0.119195D+02 -0.622773D+00
      6  -0.252468D+01  0.229052D+01  0.597321D+00  0.128892D+00  0.602758D+01
                96            97            98            99           100 
      1  -0.479420D+01 -0.327981D+01 -0.291004D+00 -0.265710D+02 -0.701481D+02
      2   0.809937D+01 -0.632260D+01  0.511660D+00  0.216084D+02  0.374414D+02
      3  -0.330516D+01  0.960241D+01 -0.220656D+00  0.496266D+01  0.327067D+02
      4  -0.889044D+00 -0.273756D+01 -0.167957D+01  0.907661D+01 -0.248746D+02
      5   0.958606D+01 -0.601027D+02  0.102971D+02  0.530486D+01  0.336127D+02
      6   0.151463D+01  0.144664D+01  0.807203D+00 -0.342251D+01  0.113737D+02
               101           102           103           104           105 
      1  -0.190980D+02  0.300987D+02 -0.304462D+02  0.114104D+02 -0.628143D+01
      2   0.777578D+01 -0.146801D+01  0.212993D+02 -0.767288D+01 -0.107328D+02
      3   0.113222D+02 -0.286307D+02  0.914689D+01 -0.373748D+01  0.170142D+02
      4   0.499754D+01  0.593182D-01  0.261211D+01  0.387851D+02  0.102349D+02
      5   0.474383D+01  0.197228D+02  0.160547D+02  0.675566D+01 -0.190351D+02
      6  -0.331984D+01  0.206634D+01 -0.160165D+01 -0.187288D+02 -0.655872D+01
               106           107           108           109           110 
      1   0.356191D+01 -0.784771D+01  0.357177D+02 -0.859023D+02  0.180755D+02
      2   0.162824D+02 -0.544369D+01 -0.152659D+02  0.353507D+02 -0.202032D+01
      3  -0.198443D+02  0.132914D+02 -0.204518D+02  0.505515D+02 -0.160552D+02
      4   0.207791D+01  0.739046D+01 -0.167044D+02  0.293004D+02 -0.192643D+02
      5   0.417294D+02 -0.151739D+02 -0.170910D+02 -0.102919D+02  0.564092D+01
      6  -0.160473D+01 -0.412472D+01  0.143511D+02  0.560098D+01 -0.200703D+01
               111           112           113           114           115 
      1  -0.278437D+01  0.274875D+02 -0.123869D+02  0.168806D+01  0.230565D+02
      2   0.102082D+01 -0.615610D+01  0.888215D+01 -0.123480D+01 -0.151726D+02
      3   0.176355D+01 -0.213314D+02  0.350475D+01 -0.453266D+00 -0.788397D+01
      4   0.283522D+01 -0.368520D+01  0.201564D+02  0.186752D+01 -0.119419D+00
      5  -0.117110D+00  0.101587D+02 -0.297109D-02 -0.775472D-02  0.241799D+02
      6   0.292919D+01 -0.179673D+01  0.308981D+01  0.108320D+01 -0.322235D+01
               116           117           118           119           120 
      1   0.122709D+01  0.230663D+02 -0.392420D+01  0.689241D+01  0.181187D+01
      2   0.580943D+00 -0.508875D+01  0.761741D+01 -0.165471D+01 -0.852491D+00
      3  -0.180804D+01 -0.179776D+02 -0.369321D+01 -0.523770D+01 -0.959377D+00
      4   0.489261D+01 -0.497428D+01  0.124450D+02  0.110421D+02 -0.845105D+00
      5  -0.520692D+01  0.866285D+01  0.103503D+01 -0.129618D+01  0.761114D+01
      6  -0.296324D+01 -0.229763D+01 -0.132868D+01 -0.104668D+01  0.237544D+00
               121           122           123           124           125 
      1   0.102169D+02 -0.128146D+02  0.244204D+01  0.285831D+01 -0.236624D+00
      2  -0.336507D-01  0.277022D+02 -0.127934D+01 -0.153301D+01  0.178186D+01
      3  -0.101833D+02 -0.148876D+02 -0.116271D+01 -0.132530D+01 -0.154523D+01
      4   0.189532D+02  0.506742D+02 -0.165393D+01 -0.483181D-02  0.162390D+00
      5  -0.567793D+00 -0.155709D+01  0.100311D+02  0.999950D+01  0.568014D+01
      6  -0.162787D+01 -0.651519D+01  0.468873D+01  0.154997D+01  0.568249D+01
               126           127           128           129           130 
      1   0.120455D+01  0.111467D+03  0.119818D+02 -0.196808D+02  0.209699D+02
      2  -0.225723D+00 -0.656821D+02 -0.568840D+01  0.169764D+02 -0.114092D+02
      3  -0.978827D+00 -0.457854D+02 -0.629335D+01  0.270440D+01 -0.956066D+01
      4   0.614387D+01  0.179571D+02  0.143739D+02 -0.310785D+01  0.190364D+02
      5  -0.163050D+01 -0.601151D+02 -0.528219D+01  0.272063D+02 -0.130912D+02
      6  -0.630690D+00 -0.749401D+01 -0.549533D+01  0.148521D+01 -0.671519D+01
               131           132           133           134           135 
      1   0.102275D+02 -0.235748D+01 -0.785948D+01  0.524830D+00  0.767913D+01
      2  -0.425222D+01  0.416835D+01  0.806798D+01  0.148544D+01 -0.743016D+01
      3  -0.597526D+01 -0.181087D+01 -0.208501D+00 -0.201028D+01 -0.248971D+00
      4   0.370575D+01 -0.519350D+01 -0.122107D+01 -0.204121D+01  0.431496D+01
      5  -0.714597D+01  0.846353D+01  0.170941D+02  0.399539D+01 -0.819262D+01
      6  -0.781818D+00  0.345206D+01  0.157517D+01  0.166331D+01 -0.221542D+01
               136           137           138           139           140 
      1  -0.568345D+01  0.757089D+01 -0.220142D+02  0.835200D+01 -0.105629D+02
      2  -0.107074D+01 -0.195996D+01 -0.119905D+01 -0.498561D+01  0.205326D+01
      3   0.675418D+01 -0.561092D+01  0.232132D+02 -0.336638D+01  0.850961D+01
      4   0.423414D+01 -0.386396D+01  0.268900D+01  0.107093D+01  0.454630D+01
      5  -0.184823D+01 -0.151678D+00 -0.106559D+02 -0.572718D+01 -0.813105D+01
      6  -0.367174D+01  0.457516D+01 -0.419067D+01  0.424123D+00 -0.621352D+01
               141           142           143           144           145 
      1   0.125950D+02 -0.991615D+01  0.875929D+01 -0.385149D+02  0.673672D+01
      2   0.358806D+01  0.289059D+01  0.222888D+01 -0.126625D+02 -0.157302D+01
      3  -0.161830D+02  0.702556D+01 -0.109882D+02  0.511774D+02 -0.516370D+01
      4  -0.110457D+02 -0.484492D+00 -0.900447D+01  0.122744D+02 -0.539003D+01
      5   0.164590D+02  0.434146D+01  0.921374D+01 -0.376113D+02 -0.382020D+01
      6   0.120829D+02 -0.234276D+00  0.937332D+01 -0.126286D+02  0.262787D+01
               146           147           148           149           150 
      1  -0.551676D+01 -0.517718D+01 -0.112761D+02 -0.102974D+02 -0.281830D+01
      2   0.303673D+01  0.371102D+00  0.708097D+01  0.137961D+02 -0.223389D+01
      3   0.248003D+01  0.480607D+01  0.419510D+01 -0.349876D+01  0.505219D+01
      4   0.324600D+01  0.957712D+00  0.106356D+02 -0.483433D+02 -0.129614D+02
      5   0.256909D+01 -0.144223D+01  0.119064D+02 -0.119729D+02 -0.149712D+02
      6  -0.486492D-01 -0.753427D-01 -0.392579D+01  0.267660D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.412844D+00 -0.217038D+01 -0.732765D+01  0.186784D+03 -0.302174D+02
      2  -0.102187D+01 -0.547763D+00  0.150803D+01 -0.868723D+02  0.940122D+01
      3   0.143472D+01  0.271814D+01  0.581962D+01 -0.999122D+02  0.208162D+02
      4   0.207034D+01 -0.580039D+01 -0.583103D+01 -0.411738D+02  0.372064D+02
      5  -0.239467D+00 -0.583302D+01 -0.326362D+01  0.307764D+02 -0.561461D+01
      6  -0.142288D+01  0.779757D+01  0.389730D+01 -0.488976D+01  0.479110D+01
               156           157           158           159           160 
      1   0.485381D+01 -0.394767D+02  0.345724D+02 -0.270140D+00  0.672944D+01
      2  -0.720933D+01  0.127196D+02 -0.909644D+01  0.142007D+01 -0.782044D+01
      3   0.235551D+01  0.267571D+02 -0.254760D+02 -0.114993D+01  0.109100D+01
      4  -0.206768D+01  0.526083D+02 -0.371761D+02  0.246366D+01 -0.320866D+01
      5   0.333350D+02 -0.842812D+01  0.722672D+01 -0.109143D+02  0.355924D+02
      6  -0.164858D+01  0.900218D+01 -0.650768D+01  0.535133D+01 -0.420782D+01
               161           162           163           164           165 
      1  -0.917698D+00  0.211344D+02  0.428657D+02 -0.821020D+01  0.155428D+02
      2   0.128477D+01 -0.139784D+02 -0.309026D+02  0.334596D+01 -0.964909D+01
      3  -0.367074D+00 -0.715603D+01 -0.119631D+02  0.486423D+01 -0.589368D+01
      4   0.253691D+00 -0.847627D+01 -0.804064D+01  0.811421D+01  0.119118D+01
      5  -0.931894D+01  0.503413D+01  0.311079D+02 -0.921457D+00  0.176144D+02
      6   0.493399D+01 -0.203538D+01 -0.361286D+01  0.173417D+01  0.422394D+00
               166           167           168           169           170 
      1  -0.156505D+02 -0.648570D+01  0.157373D-01 -0.169472D+01  0.206162D+00
      2   0.834335D+01  0.132223D+01  0.635783D+00 -0.289930D+01 -0.680383D+00
      3   0.730718D+01  0.516347D+01 -0.651520D+00  0.459402D+01  0.474221D+00
      4   0.591215D+01  0.171437D+01  0.112435D+02  0.327004D+01  0.436798D+01
      5  -0.685969D+01  0.112736D+02 -0.224189D+01  0.157974D+02  0.313868D+01
      6   0.138143D+01  0.776707D+00  0.117080D+02  0.258611D+01  0.104882D+02
               171           172           173           174           175 
      1  -0.312106D+02 -0.449899D+02  0.721396D+01  0.518115D+01  0.137910D+02
      2  -0.141860D+02  0.281296D+02 -0.363029D+01  0.489814D+01 -0.890497D+01
      3   0.453967D+02  0.168603D+02 -0.358367D+01 -0.100793D+02 -0.488601D+01
      4   0.537374D+01  0.646708D+01 -0.474622D+01 -0.854505D+00 -0.103249D+01
      5   0.449394D+02 -0.237918D+02  0.150595D+01 -0.136549D+02  0.619049D+01
      6   0.367264D+01  0.329396D+01 -0.368412D+01 -0.139615D+01 -0.112923D+01
               176           177           178           179           180 
      1  -0.643132D+01 -0.172923D+01 -0.845778D+01  0.244490D+00 -0.915147D+01
      2   0.405050D+01 -0.894637D+00  0.110683D+02 -0.548308D+00  0.483045D+01
      3   0.238082D+01  0.262387D+01 -0.261049D+01  0.303818D+00  0.432103D+01
      4   0.237144D+01  0.303921D+01  0.203084D+01 -0.397905D-01  0.116112D+01
      5   0.169911D+01  0.454486D+01 -0.111682D+02  0.958192D+00 -0.318949D+01
      6   0.240184D+01  0.334410D+01 -0.786266D+00  0.111216D+01  0.887059D+00
               181           182           183           184           185 
      1   0.281478D+02  0.546281D+02  0.116693D+01 -0.407300D+02  0.199113D+02
      2  -0.148609D+02 -0.430966D+02 -0.396601D+00  0.334954D+02 -0.251674D+02
      3  -0.132869D+02 -0.115316D+02 -0.770326D+00  0.723457D+01  0.525610D+01
      4   0.717702D+01  0.398985D+02 -0.335639D+01 -0.762170D+00  0.412810D+02
      5   0.618670D+01 -0.625177D+01  0.168639D+02  0.370676D+00  0.102561D+01
      6  -0.433232D+01  0.198243D+01 -0.134202D+02  0.126832D+01 -0.173246D+01
               186           187           188           189           190 
      1   0.194637D+01  0.170820D+01 -0.668974D+01  0.439014D+01  0.139989D+03
      2  -0.233937D+01  0.933987D+00  0.364271D+01 -0.851422D+01 -0.713400D+02
      3   0.392996D+00 -0.264219D+01  0.304703D+01  0.412408D+01 -0.686493D+02
      4   0.176905D+01 -0.541675D+01 -0.435657D+00 -0.231544D+02  0.118177D+02
      5  -0.985708D+01  0.358531D+02 -0.187154D+02 -0.391698D+01  0.256067D+01
      6   0.308440D+01 -0.236347D+02  0.139403D+02  0.395534D+01 -0.172150D+01
               191           192           193           194           195 
      1  -0.196286D+01 -0.789784D+01 -0.320052D+02 -0.420516D+02  0.776541D+00
      2  -0.103902D+02  0.204032D+01  0.308291D+01  0.468890D+02  0.155868D+01
      3   0.123531D+02  0.585751D+01  0.289223D+02 -0.483742D+01 -0.233522D+01
      4   0.237823D+02 -0.585822D+00 -0.414953D+02 -0.664109D+02  0.121794D+01
      5   0.568800D+00  0.112295D+02 -0.212381D+01  0.944187D+00 -0.133095D+01
      6   0.947148D+00 -0.217518D+01  0.253203D+01  0.953166D+00 -0.907629D+01
               196           197           198           199           200 
      1  -0.410156D+01 -0.195264D+01  0.224508D+02 -0.109482D+03 -0.242866D+02
      2   0.210078D+01  0.222505D+01 -0.209465D+02  0.384434D+02  0.255683D+02
      3   0.200079D+01 -0.272416D+00 -0.150430D+01  0.710385D+02 -0.128167D+01
      4  -0.322264D+01 -0.304980D+01 -0.853241D+00 -0.361367D+02 -0.369016D+02
      5   0.493529D+02 -0.560964D+01 -0.403427D+01  0.973727D+00  0.338036D+01
      6  -0.117492D+01  0.444959D+01 -0.455787D+00  0.393407D+01  0.104864D+01
               201           202           203           204           205 
      1   0.665334D+01  0.791177D+02  0.136831D+02 -0.382285D+01  0.984176D+01
      2  -0.239050D+01 -0.480511D+02 -0.228095D+02  0.193195D+01 -0.449346D+01
      3  -0.426284D+01 -0.310666D+02  0.912642D+01  0.189090D+01 -0.534830D+01
      4   0.319320D+01  0.258822D+02  0.198895D+02 -0.162939D+01  0.522144D+01
      5   0.431481D+01 -0.876111D+00 -0.642253D+00  0.148149D+02  0.244517D+01
      6  -0.735341D+00 -0.182692D+01 -0.654592D+00  0.913767D+01  0.171166D+01
               206           207           208           209           210 
      1   0.511733D+01 -0.159687D+02  0.194249D+02 -0.635120D+01  0.113797D+01
      2  -0.405095D+01 -0.284556D+01 -0.138555D+02  0.584616D+01  0.148438D+01
      3  -0.106638D+01  0.188143D+02 -0.556938D+01  0.505043D+00 -0.262236D+01
      4   0.362598D+01  0.169176D+02 -0.181691D+02  0.909790D+01  0.877468D+00
      5   0.212008D+02  0.342100D+01 -0.358167D+01 -0.646691D-01  0.164232D+02
      6   0.102896D+02 -0.116368D+00  0.106687D+01 -0.140742D+01  0.309892D+01
               211           212           213           214           215 
      1  -0.204038D+02  0.361505D+01  0.389918D+01 -0.884368D-02 -0.608559D-01
      2   0.117344D+02 -0.212914D+01 -0.182369D+01  0.147115D+01 -0.561902D+00
      3   0.866937D+01 -0.148591D+01 -0.207549D+01 -0.146230D+01  0.622758D+00
      4   0.248668D+02 -0.183543D+02 -0.137071D+01  0.121494D+01 -0.598435D+00
      5   0.300558D+01 -0.389473D+00  0.156799D+02  0.118161D+02 -0.396225D+01
      6  -0.190475D+00  0.272232D+00  0.132212D+02 -0.118807D+01  0.411406D+01
               216           217           218           219           220 
      1   0.490723D+01 -0.103138D+03 -0.276091D+01  0.137804D+02  0.162831D+02
      2  -0.252403D+01  0.573606D+02  0.451174D+01 -0.749086D+01 -0.500004D+01
      3  -0.238320D+01  0.457776D+02 -0.175083D+01 -0.628957D+01 -0.112830D+02
      4  -0.521080D+01  0.159379D+00  0.220926D+02 -0.275103D+01  0.161374D+01
      5  -0.303838D+01  0.122699D+02 -0.335233D+01  0.190869D+02 -0.657940D+01
      6   0.509902D+00  0.765289D+00 -0.249132D+01  0.820775D+01 -0.216291D+01
               221           222           223           224           225 
      1   0.199498D+02 -0.107668D+02  0.112658D+02 -0.646225D+01  0.272994D+02
      2  -0.101311D+02  0.346524D+01 -0.635688D+01  0.219822D+01 -0.202820D+02
      3  -0.981871D+01  0.730159D+01 -0.490891D+01  0.426403D+01 -0.701745D+01
      4   0.201722D+01 -0.160127D+00 -0.417798D+01 -0.164855D+01 -0.390581D+02
      5  -0.794039D-01 -0.658563D+02 -0.365976D+01 -0.425304D+02 -0.779290D+01
      6   0.125515D+01 -0.268419D+02 -0.649628D+01 -0.194958D+02  0.750843D-01
               226           227           228           229           230 
      1  -0.685381D+01 -0.157071D+02  0.468667D+00 -0.556568D+01 -0.563075D+02
      2   0.827056D+01  0.171584D+02 -0.264637D+00  0.557229D+01  0.743349D+02
      3  -0.141674D+01 -0.145129D+01 -0.204031D+00 -0.661381D-02 -0.180275D+02
      4   0.560639D+00  0.471232D+01  0.235307D+00  0.325166D+01 -0.223082D+02
      5   0.404275D+00  0.667680D+00  0.106214D+01  0.920011D-01  0.208056D+01
      6  -0.300284D+00 -0.800940D+00  0.204513D+01  0.181927D+00 -0.972067D+00
               231           232           233           234           235 
      1  -0.602384D+00  0.705187D+00  0.191598D+00 -0.109492D+01  0.367889D+02
      2   0.693666D+00 -0.458764D+00  0.132596D+00  0.222138D+01 -0.716749D+01
      3  -0.912815D-01 -0.246423D+00 -0.324194D+00 -0.112646D+01 -0.296214D+02
      4   0.322963D-01 -0.392898D-01 -0.624384D+00  0.651536D+00 -0.522302D+02
      5  -0.225166D+01  0.230638D+01  0.133316D+00 -0.258219D+00 -0.344638D+01
      6   0.784193D+01 -0.909580D+00  0.356060D+01  0.400371D-01  0.265136D+01
               236           237           238           239           240 
      1  -0.187214D+02 -0.245742D+01 -0.170027D+02  0.931409D+01  0.792665D+00
      2  -0.192525D+01  0.671526D+00 -0.782245D+01  0.160385D+02  0.865137D+00
      3   0.206467D+02  0.178590D+01  0.248251D+02 -0.253526D+02 -0.165780D+01
      4   0.421529D+02  0.426511D+01  0.498677D+02 -0.544596D+02 -0.438892D+01
      5   0.212328D+01  0.692609D+01  0.219075D+01 -0.197707D+01 -0.637012D+01
      6  -0.201379D+01 -0.410753D+01 -0.229192D+01  0.276594D+01  0.546067D+01
               241           242           243           244           245 
      1  -0.348867D+01  0.138660D+01 -0.350341D-01  0.660208D+01  0.100327D+02
      2   0.661125D+00  0.404680D+00  0.121689D+01 -0.834466D+00 -0.306704D+01
      3   0.282755D+01 -0.179128D+01 -0.118185D+01 -0.576762D+01 -0.696566D+01
      4   0.528266D+01 -0.432240D+01 -0.384752D+01  0.154423D+02  0.134433D+02
      5  -0.148940D+00 -0.277519D+01 -0.115124D+01  0.286576D-01 -0.337619D+00
      6   0.678483D+00  0.259881D+01  0.729037D+00 -0.200800D-01 -0.398082D+00
               246           247           248           249           250 
      1  -0.212252D+00  0.103419D+02 -0.625190D+01 -0.475435D+00 -0.244412D+00
      2   0.888333D-01  0.134450D+01  0.192652D+02 -0.286428D-01  0.132812D+00
      3   0.123419D+00 -0.116864D+02 -0.130133D+02  0.504078D+00  0.111600D+00
      4  -0.824805D+00  0.248377D+02  0.411347D+02 -0.590887D+00 -0.565934D+00
      5   0.118009D+01  0.232579D+00  0.145374D+01  0.390223D+01  0.759207D+00
      6   0.391604D+00 -0.295022D-01  0.125178D+00  0.452060D+01  0.204865D+01
               251           252           253           254           255 
      1  -0.109404D+01 -0.132536D+01  0.593888D+01  0.479804D+01  0.930445D+01
      2   0.642702D+00  0.222543D+01 -0.291797D+01 -0.368280D+01 -0.437004D+01
      3   0.451339D+00 -0.900071D+00 -0.302091D+01 -0.111524D+01 -0.493441D+01
      4  -0.306417D-01  0.159860D+00  0.576256D+00 -0.262891D+01  0.225763D+01
      5  -0.784868D+00 -0.553447D-01  0.725870D+01  0.700435D+00 -0.718201D+01
      6   0.151888D+01  0.170192D-01  0.271401D+01 -0.356547D+00 -0.417479D+01
               256           257           258           259           260 
      1   0.519969D+01 -0.213260D+01 -0.100533D+01  0.243052D+02  0.419899D+01
      2   0.422123D+00  0.906284D+01  0.556773D+01 -0.111801D+02  0.234713D+01
      3  -0.562181D+01 -0.693024D+01 -0.456240D+01 -0.131251D+02 -0.654612D+01
      4   0.186098D+02  0.285589D+02  0.198455D+02  0.232804D+02  0.258463D+02
      5   0.114329D+02  0.208355D+02  0.268721D+02  0.214300D+02  0.281947D+02
      6   0.496165D+01  0.101555D+02  0.130121D+02  0.866336D+01  0.138083D+02
               261           262           263           264           265 
      1  -0.731522D+01  0.204960D+03  0.134582D+02 -0.130803D+02 -0.111154D+02
      2   0.187316D+01 -0.106037D+03 -0.398639D+01  0.767628D+01  0.918308D+01
      3   0.544206D+01 -0.989230D+02 -0.947185D+01  0.540405D+01  0.193234D+01
      4   0.260711D+02  0.370134D+02  0.185669D+02 -0.223606D+01  0.176971D+02
      5   0.522249D+02 -0.154469D+02 -0.873239D+00  0.178740D+02  0.952504D+00
      6   0.187538D+02 -0.225455D+01 -0.774597D+00  0.279526D+01 -0.679878D+00
               266           267           268           269           270 
      1   0.155563D+02  0.141027D+01 -0.133426D+02 -0.157522D+00  0.147696D+02
      2  -0.758262D+01 -0.104033D+01  0.805922D+01 -0.625158D-01 -0.837853D+01
      3  -0.797371D+01 -0.369943D+00  0.528341D+01  0.220038D+00 -0.639105D+01
      4  -0.308272D+00 -0.153057D+01 -0.231595D+01 -0.168083D+01  0.619177D+01
      5  -0.176796D+01  0.122744D+01  0.226720D+02  0.521882D+01 -0.415330D+01
      6  -0.175420D+00  0.199602D+01  0.327752D+01  0.298611D+01 -0.723995D+00
               271           272           273           274           275 
      1  -0.282981D+01  0.483257D+01 -0.135841D+02  0.338984D+01 -0.845345D+01
      2   0.826365D+00 -0.452546D+01  0.589152D+01  0.151377D-01  0.118480D+02
      3   0.200344D+01 -0.307112D+00  0.769258D+01 -0.340498D+01 -0.339456D+01
      4  -0.398713D+01 -0.707521D+01  0.188725D+01  0.151933D+02  0.292972D+02
      5  -0.612765D+01  0.337558D+01 -0.121963D+02 -0.811410D+01 -0.209090D+02
      6  -0.209848D+01  0.334771D+01 -0.686141D+01 -0.447630D+01 -0.131684D+02
               276           277           278           279 
      1   0.785601D+01 -0.206804D+02  0.343185D+01 -0.152819D+02
      2  -0.769860D+01  0.100956D+02 -0.433895D+01  0.341819D+01
      3  -0.157409D+00  0.105848D+02  0.907102D+00  0.118637D+02
      4  -0.210968D+02 -0.169467D+02 -0.235205D+02  0.262815D+02
      5   0.275128D+02  0.165085D+02  0.278392D+02 -0.454573D+02
      6   0.152467D+02  0.748235D+01  0.157167D+02 -0.201441D+02
 Leave Link  716 at Fri Aug 13 02:37:18 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.297612D+03 -0.875968D+01 -0.129542D+02
      2  -0.875968D+01  0.173486D+03  0.205088D+01
      3  -0.129542D+02  0.205088D+01  0.122618D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.285785D+01 -0.257346D+02  0.346599D+01
      2   0.451075D+02  0.826593D+00  0.283880D+02
      3   0.747955D+02  0.691601D+02 -0.265321D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.270613D+03 -0.871520D+02  0.437466D+02
      2   0.865744D+02  0.678857D+02  0.720101D+01
      3   0.184039D+03  0.192663D+02 -0.509476D+02
      4  -0.790546D+02 -0.168818D+03 -0.141724D+01
      5  -0.356983D+02 -0.267249D+01  0.695251D+02
      6  -0.390974D+01 -0.469359D+02 -0.129430D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.311960D+02 -0.154414D+01 -0.212388D+01  0.472308D+02 -0.809185D+01
      2  -0.154414D+01 -0.636215D+00  0.291616D+00 -0.809185D+01  0.895272D+01
      3  -0.212388D+01  0.291616D+00 -0.821356D-01 -0.373978D+01  0.775572D+00
                 6             7             8             9            10 
      1  -0.373978D+01 -0.118234D+01 -0.523879D-01  0.108707D+01 -0.355814D+02
      2   0.775572D+00 -0.523879D-01  0.157028D+00  0.132635D+01  0.201641D+01
      3  -0.395129D+00  0.108707D+01  0.132635D+01 -0.482847D-01  0.232414D+01
                11            12            13            14            15 
      1   0.201641D+01  0.232414D+01 -0.473724D+02  0.750871D+01  0.379716D+01
      2  -0.417446D+01 -0.211001D+00  0.750871D+01 -0.720047D+01 -0.835470D+00
      3  -0.211001D+00  0.217851D+00  0.379716D+01 -0.835470D+00  0.421393D+00
                16            17            18            19            20 
      1   0.176044D+01 -0.766440D-01 -0.112549D+01 -0.405660D+02  0.495197D+01
      2  -0.766440D-01  0.300693D+00 -0.110806D+01  0.495197D+01 -0.423120D+01
      3  -0.112549D+01 -0.110806D+01 -0.343764D-01  0.245391D+01 -0.278297D+00
                21            22            23            24            25 
      1   0.245391D+01  0.172812D+02 -0.216834D+01 -0.424890D+00  0.390838D+01
      2  -0.278297D+00 -0.216834D+01  0.314036D+01  0.263076D+00  0.143440D+00
      3  -0.403277D+00 -0.424890D+00  0.263076D+00  0.243374D+01  0.124140D+01
                26            27            28            29            30 
      1   0.143440D+00  0.124140D+01  0.436940D+02 -0.299329D+01 -0.177012D+01
      2   0.178190D+00  0.357001D+01 -0.299329D+01  0.367790D+01  0.262277D+00
      3   0.357001D+01 -0.434005D-01 -0.177012D+01  0.262277D+00  0.236124D+01
                31            32            33            34            35 
      1  -0.661615D+01  0.103293D+01  0.298399D+00 -0.145110D+01  0.108806D+00
      2   0.103293D+01 -0.754314D+01 -0.578202D+00  0.108806D+00 -0.901988D+00
      3   0.298399D+00 -0.578202D+00 -0.626503D+00  0.590955D+01 -0.648207D+00
                36            37            38            39            40 
      1   0.590955D+01  0.949803D+01 -0.708463D-01 -0.254855D+00 -0.625035D+01
      2  -0.648207D+00 -0.708463D-01  0.814143D+01  0.293169D+00  0.133875D+01
      3  -0.922399D+00 -0.254855D+00  0.293169D+00  0.240148D+01  0.423905D-01
                41            42            43            44            45 
      1   0.133875D+01  0.423905D-01 -0.872327D+00 -0.162766D+00  0.422997D+01
      2   0.370418D+01  0.148394D+00 -0.162766D+00 -0.579773D+00 -0.225357D+01
      3   0.148394D+00 -0.958432D+00  0.422997D+01 -0.225357D+01 -0.125742D+01
                46            47            48            49            50 
      1  -0.132435D+02  0.151456D+01  0.101925D+01 -0.864934D+00  0.103102D+01
      2   0.151456D+01 -0.517026D+01 -0.877151D+00  0.103102D+01 -0.211403D+00
      3   0.101925D+01 -0.877151D+00 -0.206772D+01 -0.427989D-02  0.382258D-02
                51            52            53            54            55 
      1  -0.427989D-02  0.975820D+00 -0.523782D+00 -0.115421D+01  0.146944D+02
      2   0.382258D-02 -0.523782D+00  0.597793D+00 -0.383702D+01 -0.348904D+01
      3  -0.174313D+01 -0.115421D+01 -0.383702D+01 -0.947622D-01 -0.984455D+00
                56            57            58            59            60 
      1  -0.348904D+01 -0.984455D+00 -0.109720D+01 -0.972477D+00  0.236052D+00
      2   0.991218D+01  0.652416D+00 -0.972477D+00 -0.580267D+00 -0.416716D-01
      3   0.652416D+00  0.230244D+01  0.236052D+00 -0.416716D-01  0.188437D+01
                61            62            63            64            65 
      1  -0.118433D+01  0.608693D+00  0.106304D+01  0.119137D+01  0.226237D+01
      2   0.608693D+00 -0.104171D+01  0.383794D+01  0.226237D+01  0.157752D+01
      3   0.106304D+01  0.383794D+01 -0.269984D+00 -0.799826D-01 -0.164057D+00
                66            67            68            69            70 
      1  -0.799826D-01  0.244715D+01  0.302052D+01 -0.111157D+00 -0.208547D+00
      2  -0.164057D+00  0.302052D+01  0.766971D+01 -0.222302D+00 -0.164875D+00
      3   0.175698D+00 -0.111157D+00 -0.222302D+00  0.816319D+00 -0.551009D-01
                71            72            73            74            75 
      1  -0.164875D+00 -0.551009D-01  0.645708D+01 -0.310907D+01 -0.645326D+00
      2  -0.353066D-01  0.182115D+00 -0.310907D+01  0.272910D+01  0.248889D+00
      3   0.182115D+00 -0.442333D-01 -0.645326D+00  0.248889D+00  0.594097D+00
                76            77            78            79            80 
      1  -0.388441D+01  0.407656D+01  0.413188D+00 -0.785672D+00  0.253282D+00
      2   0.407656D+01 -0.500150D+01 -0.448593D+00  0.253282D+00 -0.238455D+00
      3   0.413188D+00 -0.448593D+00 -0.699857D+00 -0.224870D+00 -0.292133D+00
                81            82            83            84            85 
      1  -0.224870D+00 -0.111460D+01 -0.155931D+01  0.442504D-01 -0.734486D+00
      2  -0.292133D+00 -0.155931D+01 -0.216709D+01  0.510683D-01 -0.147204D+01
      3  -0.312559D-01  0.442504D-01  0.510683D-01 -0.157780D+00 -0.698684D-01
                86            87            88            89            90 
      1  -0.147204D+01 -0.698684D-01  0.174009D+00  0.952053D-01  0.968698D-01
      2  -0.100814D+02 -0.137764D+00  0.952053D-01 -0.100447D-01 -0.217175D+00
      3  -0.137764D+00 -0.874439D+00  0.968698D-01 -0.217175D+00 -0.681883D-02
                91            92            93            94            95 
      1  -0.143505D+02  0.202818D+01 -0.256043D-03  0.215846D+01 -0.816903D+00
      2   0.202818D+01 -0.259795D+00 -0.390298D-01 -0.816903D+00 -0.522470D+01
      3  -0.256043D-03 -0.390298D-01 -0.365791D+01 -0.942906D+00 -0.669817D-01
                96            97            98            99           100 
      1  -0.942906D+00  0.262805D+00 -0.476562D+00 -0.773099D+01 -0.709495D+01
      2  -0.669817D-01 -0.476562D+00 -0.368832D+00  0.144408D+01 -0.244788D+01
      3   0.158523D+01 -0.773099D+01  0.144408D+01 -0.166122D-01  0.128205D+01
               101           102           103           104           105 
      1  -0.244788D+01  0.128205D+01 -0.598585D+01  0.637923D+00  0.946044D+00
      2   0.240948D+00 -0.250782D+00  0.637923D+00  0.465455D+01  0.127076D+01
      3  -0.250782D+00  0.364732D+01  0.946044D+00  0.127076D+01 -0.305870D+01
               106           107           108           109           110 
      1  -0.463374D+01  0.535762D+00  0.554158D+01 -0.562686D+01  0.209618D+01
      2   0.535762D+00  0.634779D+00 -0.239157D+01  0.209618D+01 -0.441285D+00
      3   0.554158D+01 -0.239157D+01 -0.256860D+00  0.302835D+00  0.214209D+00
               111           112           113           114           115 
      1   0.302835D+00  0.126740D+01 -0.380200D+00  0.514072D+00  0.666321D+01
      2   0.214209D+00 -0.380200D+00  0.823381D+00  0.337985D+00 -0.257329D+00
      3   0.166668D+01  0.514072D+00  0.337985D+00 -0.995627D+00  0.411768D+01
               116           117           118           119           120 
      1  -0.257329D+00  0.411768D+01 -0.105269D+01  0.142230D+01  0.997988D-01
      2   0.130286D+01 -0.520148D+00  0.142230D+01  0.824736D+00 -0.859521D-01
      3  -0.520148D+00  0.107230D+01  0.997988D-01 -0.859521D-01  0.837061D+00
               121           122           123           124           125 
      1   0.307225D+01  0.201412D+01 -0.225842D-01  0.549046D+00 -0.264475D-01
      2   0.201412D+01  0.677446D+01 -0.223324D+00 -0.264475D-01 -0.266235D-01
      3  -0.225842D-01 -0.223324D+00  0.136315D+01  0.123599D+01  0.891901D+00
               126           127           128           129           130 
      1   0.123599D+01  0.145497D+02  0.138478D+01 -0.329309D+01  0.297372D+01
      2   0.891901D+00  0.138478D+01  0.112688D+01 -0.176281D+00  0.153180D+01
      3  -0.253902D+00 -0.329309D+01 -0.176281D+00  0.204423D+01 -0.844149D+00
               131           132           133           134           135 
      1   0.153180D+01 -0.844149D+00 -0.109108D+01 -0.204476D+00  0.120050D+01
      2   0.263900D+00 -0.498097D+00 -0.204476D+00 -0.394672D-02  0.467951D+00
      3  -0.498097D+00  0.926069D+00  0.120050D+01  0.467951D+00 -0.540101D+00
               136           137           138           139           140 
      1  -0.541692D+00  0.619148D+00 -0.983622D+00  0.128455D+01 -0.868986D-01
      2   0.619148D+00 -0.619761D+00  0.479174D+00 -0.868986D-01  0.758829D+00
      3  -0.983622D+00  0.479174D+00 -0.300674D+01 -0.184325D+00 -0.162168D+01
               141           142           143           144           145 
      1  -0.184325D+00 -0.636145D+00  0.208495D-02 -0.554916D+00  0.565754D+00
      2  -0.162168D+01  0.208495D-02 -0.131750D+01  0.165916D+01 -0.792411D+00
      3   0.281791D+01 -0.554916D+00  0.165916D+01 -0.705578D+01 -0.946738D-01
               146           147           148           149           150 
      1  -0.792411D+00 -0.946738D-01 -0.235039D+01  0.768785D+00  0.931383D+00
      2   0.623983D-01  0.483739D-01  0.768785D+00 -0.623400D+01 -0.167453D+01
      3   0.483739D-01 -0.546122D+00  0.931383D+00 -0.167453D+01 -0.194050D+01
               151           152           153           154           155 
      1   0.316366D+00  0.247697D+00 -0.264392D+00  0.184873D+02 -0.334043D+01
      2   0.247697D+00 -0.752069D+00 -0.812048D+00 -0.334043D+01  0.189810D+01
      3  -0.264392D+00 -0.812048D+00 -0.701826D+00  0.820626D+00 -0.202315D+00
               156           157           158           159           160 
      1   0.820626D+00 -0.553384D+01  0.449539D+01 -0.486418D+00  0.138363D+01
      2  -0.202315D+00  0.449539D+01 -0.295758D+01  0.216878D+00 -0.368998D+00
      3   0.249721D+01 -0.486418D+00  0.216878D+00 -0.842404D+00  0.264145D+01
               161           162           163           164           165 
      1  -0.368998D+00  0.264145D+01  0.101236D+02 -0.116761D+01  0.359901D+01
      2  -0.424230D+00 -0.907449D+00 -0.116761D+01  0.966930D-01  0.166720D+00
      3  -0.907449D+00 -0.239426D+00  0.359901D+01  0.166720D+00  0.787512D+00
               166           167           168           169           170 
      1  -0.320185D+01  0.149804D+00 -0.552818D+00  0.170485D+01  0.371027D+00
      2   0.149804D+00  0.241188D+00  0.147700D+01  0.371027D+00  0.384174D+00
      3  -0.552818D+00  0.147700D+01 -0.360927D+00  0.756386D+00  0.258848D+00
               171           172           173           174           175 
      1   0.756386D+00 -0.925927D+01  0.950754D+00 -0.176155D+01  0.262682D+01
      2   0.258848D+00  0.950754D+00 -0.339268D+00 -0.158075D+00 -0.122100D+00
      3   0.726295D+01 -0.176155D+01 -0.158075D+00 -0.241395D+01  0.443151D+00
               176           177           178           179           180 
      1  -0.122100D+00  0.443151D+00 -0.486320D+01  0.722997D-01 -0.201325D+01
      2   0.590259D+00  0.675110D+00  0.722997D-01  0.937625D+00  0.243757D+00
      3   0.675110D+00  0.880787D+00 -0.201325D+01  0.243757D+00  0.411719D+00
               181           182           183           184           185 
      1  -0.126167D+02  0.878129D+00  0.373378D+00  0.527478D+01  0.257150D+00
      2   0.878129D+00 -0.104274D+02  0.139637D+00  0.257150D+00 -0.667928D+01
      3   0.373378D+00  0.139637D+00 -0.275611D+01 -0.173451D+00 -0.124748D+00
               186           187           188           189           190 
      1  -0.173451D+00  0.271408D+00  0.304375D+00 -0.495624D+01 -0.393936D+02
      2  -0.124748D+00  0.304375D+00  0.576623D+00  0.294183D+01  0.906908D+00
      3   0.140430D+01 -0.495624D+01  0.294183D+01  0.117816D+01  0.201212D+01
               191           192           193           194           195 
      1   0.906908D+00  0.201212D+01  0.146126D+02 -0.624067D+00 -0.840992D+00
      2  -0.706028D+01 -0.114919D+00 -0.624067D+00  0.138861D+02  0.153263D+00
      3  -0.114919D+00 -0.445541D+01 -0.840992D+00  0.153263D+00  0.398490D+00
               196           197           198           199           200 
      1   0.242747D+01  0.111382D+00 -0.684684D+01  0.405819D+02 -0.361909D+01
      2   0.111382D+00  0.902438D+00  0.610637D+00 -0.361909D+01  0.842295D+01
      3  -0.684684D+01  0.610637D+00  0.136385D+01 -0.287545D+01  0.309519D-01
               201           202           203           204           205 
      1  -0.287545D+01 -0.174506D+02 -0.308444D+00  0.103519D+01 -0.377114D+01
      2   0.309519D-01 -0.308444D+00 -0.509729D+01  0.954701D-01 -0.205927D-02
      3   0.591015D+00  0.103519D+01  0.954701D-01 -0.304322D+01  0.371228D+00
               206           207           208           209           210 
      1  -0.205927D-02  0.371228D+00  0.798188D+01  0.138441D+01 -0.487054D+00
      2  -0.690794D+00 -0.359511D+01  0.138441D+01  0.218709D+01  0.156251D-01
      3  -0.359511D+01 -0.268799D+00 -0.487054D+00  0.156251D-01  0.982810D+00
               211           212           213           214           215 
      1   0.244336D+01 -0.144493D+01 -0.341017D+00 -0.568737D+00 -0.115419D+00
      2  -0.144493D+01  0.202218D+01  0.187096D+00 -0.115419D+00 -0.155502D+00
      3  -0.341017D+00  0.187096D+00 -0.106739D+01 -0.240352D+00  0.335568D+00
               216           217           218           219           220 
      1  -0.240352D+00  0.431380D+01 -0.133926D+01 -0.553825D+00 -0.332006D+01
      2   0.335568D+00 -0.133926D+01 -0.275316D+01  0.467097D+00 -0.134591D+00
      3   0.144633D-01 -0.553825D+00  0.467097D+00 -0.230845D+01  0.759155D+00
               221           222           223           224           225 
      1  -0.134591D+00  0.759155D+00 -0.314043D+00  0.493980D+00  0.526231D+00
      2  -0.947507D+00 -0.235817D+00  0.493980D+00  0.176520D-01  0.420265D+01
      3  -0.235817D+00  0.587434D+01  0.526231D+00  0.420265D+01  0.439996D+00
               226           227           228           229           230 
      1   0.815300D+00  0.131898D+01 -0.476287D-01  0.412897D+00  0.834765D+00
      2   0.131898D+01  0.241409D+01 -0.485963D-01  0.834765D+00  0.106169D+02
      3  -0.476287D-01 -0.485963D-01  0.158695D+00  0.605925D-01  0.897826D-01
               231           232           233           234           235 
      1   0.605925D-01 -0.842587D-01 -0.626256D-01 -0.233031D+00 -0.714079D+01
      2   0.897826D-01 -0.626256D-01  0.269929D-01  0.289714D+00  0.455467D+01
      3   0.897263D+00 -0.233031D+00  0.289714D+00  0.498188D-01  0.637110D+00
               236           237           238           239           240 
      1   0.455467D+01  0.637110D+00  0.504715D+01 -0.511121D+01 -0.450175D+00
      2  -0.397676D+01 -0.402086D+00 -0.511121D+01  0.590523D+01  0.496814D+00
      3  -0.402086D+00 -0.693881D+00 -0.450175D+00  0.496814D+00  0.775034D+00
               241           242           243           244           245 
      1   0.800875D+00 -0.487138D+00  0.235329D+00 -0.129392D+01 -0.214264D+01
      2  -0.487138D+00  0.452173D+00  0.304703D+00 -0.214264D+01 -0.117857D+01
      3   0.235329D+00  0.304703D+00  0.657220D-01  0.307452D-01  0.142270D+00
               246           247           248           249           250 
      1   0.307452D-01 -0.329124D+01 -0.316550D+01  0.122376D+00 -0.176979D-02
      2   0.142270D+00 -0.316550D+01 -0.677110D+01  0.847442D-01  0.112352D+00
      3  -0.815103D-01  0.122376D+00  0.847442D-01 -0.613761D+00 -0.938570D-01
               251           252           253           254           255 
      1   0.112352D+00 -0.938570D-01 -0.501849D-01  0.198008D+00 -0.731962D+00
      2  -0.605404D-01  0.605012D-01  0.198008D+00  0.383563D+00  0.439256D-03
      3   0.605012D-01 -0.459738D-02 -0.731962D+00  0.439256D-03  0.966824D+00
               256           257           258           259           260 
      1  -0.706309D+00 -0.146435D+01 -0.989488D+00 -0.321301D+01 -0.185688D+01
      2  -0.146435D+01 -0.269466D+01 -0.193057D+01 -0.185688D+01 -0.239526D+01
      3  -0.989488D+00 -0.193057D+01 -0.243439D+01 -0.178327D+01 -0.265972D+01
               261           262           263           264           265 
      1  -0.178327D+01 -0.160165D+02 -0.134729D+01  0.108497D+01  0.100019D+01
      2  -0.265972D+01 -0.134729D+01 -0.111041D+01  0.644835D-01 -0.114946D+01
      3  -0.495579D+01  0.108497D+01  0.644835D-01 -0.116607D+01 -0.105254D+00
               266           267           268           269           270 
      1  -0.114946D+01 -0.105254D+00  0.111478D+01  0.666459D-01 -0.155671D+01
      2   0.192703D+00  0.122367D+00  0.666459D-01  0.126947D+00 -0.485686D+00
      3   0.122367D+00 -0.124763D+00 -0.155671D+01 -0.485686D+00  0.313684D+00
               271           272           273           274           275 
      1   0.793161D+00  0.474563D+00  0.603533D+00 -0.473210D+00 -0.118488D+01
      2   0.474563D+00  0.850344D+00 -0.559874D+00 -0.118488D+01 -0.297231D+01
      3   0.603533D+00 -0.559874D+00  0.156491D+01  0.684397D+00  0.224162D+01
               276           277           278           279 
      1   0.684397D+00  0.254834D+01  0.131136D+01 -0.142077D+01
      2   0.224162D+01  0.131136D+01  0.240661D+01 -0.289984D+01
      3  -0.269924D+01 -0.142077D+01 -0.289984D+01  0.487396D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.235016D+01  0.276277D+01 -0.620244D+00  0.515765D+01 -0.303718D+01
      2   0.632990D+01 -0.225146D+00 -0.141708D+01  0.104250D+02 -0.141565D+01
      3   0.335652D+02  0.251837D+02 -0.174017D+01  0.509500D+02 -0.155600D+02
                 6             7             8             9            10 
      1  -0.590631D+00 -0.400488D+01  0.679726D+01  0.256596D+00 -0.969267D+00
      2   0.143737D+01 -0.188885D+02  0.241791D+01  0.153094D+01 -0.110769D+02
      3  -0.377225D+01 -0.207454D+00 -0.320352D+01  0.202595D+01 -0.171327D+02
                11            12            13            14            15 
      1   0.411978D+01  0.322152D+00  0.234574D+01 -0.594936D+00  0.105571D+01
      2   0.317815D+00 -0.536108D+01 -0.111655D+02  0.161412D+01  0.941429D-02
      3   0.319981D+02  0.150554D+01  0.365831D+02 -0.217382D+02 -0.346347D+01
                16            17            18            19            20 
      1  -0.308702D+01  0.774821D+01  0.594384D+00 -0.357281D+01 -0.524656D+00
      2  -0.196922D+02  0.160832D+01  0.203798D+01 -0.119707D+02  0.213641D+01
      3   0.220455D+01 -0.385012D+01 -0.147387D+01 -0.425521D+02 -0.178924D+02
                21            22            23            24            25 
      1   0.110477D+01 -0.376048D+00 -0.127476D+01 -0.325283D+01 -0.530364D+01
      2   0.316632D+00  0.544271D+01 -0.106760D+01  0.204164D+01 -0.167507D+02
      3   0.240570D+01  0.156210D+02 -0.236072D+01 -0.422671D+00  0.250878D+01
                26            27            28            29            30 
      1   0.516335D+00 -0.131786D+01  0.925579D-01  0.838227D+00 -0.271486D+00
      2   0.668982D+01  0.131522D+01  0.133147D+02 -0.139387D+01  0.133767D+01
      3   0.192752D+01 -0.323469D+01  0.169971D+02  0.297529D+01 -0.818950D+00
                31            32            33            34            35 
      1   0.464640D+01  0.244476D+01  0.266375D+01 -0.186028D+01  0.125746D+02
      2  -0.702617D+00  0.417007D+00 -0.157170D+01 -0.138158D+02  0.977654D+00
      3   0.193603D+02  0.815805D+00 -0.223033D+00  0.936013D+00 -0.121046D+01
                36            37            38            39            40 
      1   0.910309D+00 -0.494752D+00 -0.196196D+01  0.503290D+01 -0.106266D+01
      2   0.159714D+01  0.137253D+01 -0.273294D+00  0.194991D+01 -0.293718D+01
      3   0.343515D+01 -0.214790D+02 -0.296908D+01  0.541364D+00 -0.438831D+01
                41            42            43            44            45 
      1  -0.184909D+01 -0.749461D+00  0.137589D+02  0.630141D+01 -0.900139D+00
      2   0.533573D+00 -0.127242D+01 -0.108268D+02 -0.557346D+01  0.120971D+01
      3  -0.580898D+01 -0.813595D+00 -0.479161D+00 -0.133483D+01 -0.424375D+01
                46            47            48            49            50 
      1   0.159410D+01 -0.839773D+00 -0.478532D+01 -0.115986D+01  0.156613D+01
      2  -0.413038D+01  0.351944D+00  0.121279D+01 -0.161666D-01  0.267765D+00
      3   0.387320D+02 -0.271558D+02 -0.234614D+01 -0.832269D+01  0.191737D+02
                51            52            53            54            55 
      1  -0.337177D+01 -0.788902D+01 -0.154403D+01  0.224167D+01  0.170472D+01
      2  -0.948385D+00 -0.166678D+02 -0.561203D+00  0.776270D+00 -0.145089D+00
      3   0.143681D+01 -0.322273D+01  0.286148D+01  0.522215D+01  0.267432D+02
                56            57            58            59            60 
      1  -0.312114D+01 -0.685209D+01  0.468791D-01  0.174600D+01 -0.391937D+01
      2  -0.104170D+01 -0.605013D+01  0.100783D+00 -0.341291D+00 -0.437337D+01
      3  -0.125305D+02 -0.807218D+00  0.418766D+00  0.179589D+02  0.314849D+00
                61            62            63            64            65 
      1  -0.730220D+01 -0.268893D+01  0.140181D+01 -0.477566D+00  0.878726D-01
      2  -0.211942D+02 -0.625165D+01  0.205564D+01  0.805275D-01  0.434657D+00
      3  -0.108927D+01  0.152544D+01  0.119308D+02  0.434871D+00  0.677313D+00
                66            67            68            69            70 
      1  -0.120467D+01 -0.558819D+00 -0.164160D+01 -0.401221D+01 -0.144617D+00
      2   0.428455D+00  0.583647D+00  0.550156D+00  0.148042D+01 -0.195769D+01
      3   0.738539D-01  0.492334D+01 -0.483453D+01 -0.176665D-01  0.139672D+00
                71            72            73            74            75 
      1   0.200222D+01  0.188611D+00 -0.630006D+00 -0.581421D+00  0.272608D+01
      2  -0.831724D+00 -0.144010D-01  0.206173D+01 -0.101352D+01  0.174934D+01
      3  -0.341940D+00  0.558722D+00 -0.956452D+01  0.123439D+00  0.898997D+00
                76            77            78            79            80 
      1  -0.994165D+00  0.126500D+01 -0.278352D+01 -0.171510D+01  0.140631D+01
      2  -0.121021D+01  0.105782D+01 -0.234716D+01 -0.273778D+01  0.689385D-01
      3   0.193942D+01  0.241178D+01  0.118934D+00  0.183052D+01  0.128412D+00
                81            82            83            84            85 
      1   0.196877D-02  0.819012D+00  0.932035D+00 -0.123621D+01  0.396596D+00
      2   0.113019D-01 -0.348006D+00 -0.366303D+00  0.655680D+00 -0.225502D+00
      3   0.283354D+00  0.532734D+01  0.237666D+01 -0.283628D+00  0.542412D+01
                86            87            88            89            90 
      1   0.278290D+01 -0.446020D+01  0.118374D+01  0.199136D+01 -0.321905D-01
      2  -0.499789D+00  0.985235D+00 -0.747359D+00  0.947566D+00  0.517774D-01
      3   0.357985D+01  0.613816D-01 -0.527867D+00 -0.264692D+00 -0.972127D+00
                91            92            93            94            95 
      1  -0.268269D+01  0.839231D+00  0.882168D+00  0.239793D+01  0.228663D+01
      2  -0.105164D+02  0.130729D+01 -0.874545D+01 -0.165009D+00 -0.125191D+01
      3  -0.112921D+02 -0.298047D+01 -0.166171D+00  0.117984D+02  0.231416D+02
                96            97            98            99           100 
      1  -0.279203D+01  0.296079D+01  0.370202D+01 -0.120180D+01  0.459796D+01
      2   0.433779D+01 -0.355806D+02  0.519833D+01 -0.356528D+01 -0.127402D+02
      3  -0.568355D+00  0.520200D+00  0.873209D+00 -0.898158D+01  0.147824D+02
               101           102           103           104           105 
      1  -0.224944D+01  0.618918D+00  0.412746D+00 -0.112252D+02 -0.677314D+01
      2  -0.470035D+01  0.220390D+02 -0.318834D+01  0.607447D+01 -0.117587D+02
      3  -0.554692D+01 -0.623944D+00 -0.305518D+00 -0.236423D+02 -0.604960D+01
               106           107           108           109           110 
      1  -0.120008D+01 -0.958232D+00  0.733378D+01  0.484436D+01 -0.186923D+01
      2   0.156208D+02 -0.962468D+01  0.844165D+01  0.158659D+02 -0.237512D+01
      3  -0.366209D+01 -0.493790D+01  0.114105D+02  0.124638D+01  0.119679D+02
               111           112           113           114           115 
      1  -0.810075D+01 -0.112092D+02  0.310859D+01 -0.143079D+02 -0.675921D+01
      2   0.541786D+01 -0.537094D+00  0.194690D+01  0.551207D+01  0.107281D+02
      3   0.272005D+01  0.166351D+02 -0.140637D+02  0.117225D+01  0.491811D+01
               116           117           118           119           120 
      1  -0.423312D+01 -0.245979D+01 -0.708887D+00 -0.723584D+00 -0.329612D+00
      2   0.151949D+01  0.299633D+01 -0.806578D-01  0.472805D+00  0.349198D+01
      3  -0.101606D+01  0.430747D+01 -0.742233D+01 -0.275236D+01  0.172133D+00
               121           122           123           124           125 
      1  -0.900941D+00 -0.387114D+01 -0.264284D+01 -0.216736D+00  0.240444D+00
      2   0.108034D+01  0.807374D+00  0.438691D+01  0.250754D+01  0.264364D+01
      3  -0.177976D+01 -0.245867D+02  0.590235D+00  0.718204D+00 -0.488339D-01
               126           127           128           129           130 
      1   0.216800D-01 -0.227821D+01 -0.318810D+01 -0.120240D+00 -0.304815D+01
      2  -0.282910D+00  0.126586D+02  0.196041D+01  0.600708D+01  0.169645D+01
      3  -0.229601D+01 -0.568394D+01 -0.779233D+01  0.653851D+00 -0.547769D+01
               131           132           133           134           135 
      1  -0.558690D-01 -0.539469D-01  0.658122D+00  0.896716D+00 -0.103685D+01
      2   0.528459D+00  0.294153D+01  0.215310D+01  0.130225D+01  0.464878D-01
      3  -0.501399D+00  0.192377D+01  0.637638D+00  0.159384D+01 -0.188037D+01
               136           137           138           139           140 
      1  -0.188173D+01  0.273562D+01 -0.899341D+00  0.101837D+01 -0.211937D+01
      2  -0.745182D+01  0.345449D+01 -0.131287D+02  0.253327D+01 -0.672845D+01
      3  -0.312539D+01  0.240786D+01 -0.188267D+01  0.211074D+01 -0.254428D+01
               141           142           143           144           145 
      1   0.217303D+01 -0.119101D+00  0.488155D+01 -0.372527D+01  0.277784D+01
      2   0.109097D+02 -0.659209D+01  0.715891D+01 -0.285953D+02 -0.242861D-01
      3   0.608003D+01  0.184345D-01  0.456508D+01 -0.659541D+01  0.516843D+01
               146           147           148           149           150 
      1   0.351854D+00 -0.521093D+00 -0.200797D+00  0.145357D+02  0.428708D+00
      2  -0.125059D+01 -0.178754D+01 -0.985159D+00 -0.561893D+01 -0.607441D+01
      3   0.464822D+00 -0.700968D+00  0.150841D+01  0.273813D+02  0.616783D+01
               151           152           153           154           155 
      1  -0.792919D+00  0.236258D+01  0.146909D+01 -0.429796D+01  0.253512D+01
      2  -0.141402D+01 -0.254334D+01 -0.302276D+01 -0.964183D+01  0.178302D+01
      3  -0.215672D+01  0.266787D+01  0.354110D+01  0.122168D+02 -0.210975D+02
               156           157           158           159           160 
      1   0.416687D+01  0.787907D+01 -0.387186D+01 -0.508892D+00  0.188653D+01
      2   0.200955D+02 -0.222271D+01 -0.203174D+01 -0.866414D+01  0.765086D+01
      3  -0.219793D+00 -0.175962D+02  0.178583D+02 -0.154110D+01  0.354434D+00
               161           162           163           164           165 
      1   0.300010D+01 -0.720240D+00 -0.582481D+01  0.190103D+01  0.106463D+01
      2  -0.387251D+01 -0.238747D+01 -0.883775D+01  0.385407D+01  0.510472D+00
      3  -0.837724D+00  0.362277D+01  0.856505D+01 -0.431867D+01  0.259198D+00
               166           167           168           169           170 
      1   0.526587D+01 -0.271722D+00  0.461935D+01 -0.179933D+01  0.853906D+01
      2   0.559048D+01  0.535889D+01 -0.253217D+01 -0.691687D+01  0.902766D+00
      3  -0.162993D+01 -0.370131D-01 -0.728851D+01 -0.384358D+00 -0.203023D+01
               171           172           173           174           175 
      1  -0.670548D+00  0.649096D+01 -0.216341D+01  0.135563D+01 -0.567125D+01
      2   0.250013D+02  0.199048D+02 -0.334338D+01 -0.507800D+01 -0.530539D+01
      3  -0.109193D+01 -0.761078D+01  0.235599D+01 -0.945758D+00  0.640001D+01
               176           177           178           179           180 
      1   0.633041D+00 -0.237754D+01  0.191914D+01 -0.573471D+00  0.952257D+00
      2   0.302917D+01  0.225318D+01 -0.734870D+00  0.401694D+00  0.283414D+01
      3  -0.113030D+01 -0.775343D+00 -0.338035D+01  0.329843D+00 -0.161234D+01
               181           182           183           184           185 
      1   0.271393D-01  0.147898D+01  0.722504D+01 -0.776673D+00 -0.878900D+00
      2  -0.121997D+01 -0.330223D+00  0.896145D+01  0.854097D+00  0.128194D+01
      3  -0.216575D+02 -0.118201D+02  0.958994D+00 -0.185132D+01 -0.249818D+02
               186           187           188           189           190 
      1  -0.127738D+01  0.156264D+02  0.641111D+01 -0.245940D+01 -0.178334D+01
      2  -0.339759D+01  0.168723D+01 -0.106121D+02 -0.241270D+01 -0.799594D+01
      3  -0.469847D+00  0.449751D+00 -0.624993D+00 -0.158405D+01 -0.248693D+02
               191           192           193           194           195 
      1   0.397356D+01  0.515183D+00  0.407280D+01 -0.121919D+01  0.497647D+01
      2  -0.331830D+00  0.465577D+01  0.249952D+01 -0.123147D+01 -0.870712D+00
      3   0.155664D+02  0.235196D+01  0.451064D+02  0.231034D+02 -0.347344D+01
               196           197           198           199           200 
      1  -0.220263D+01  0.128318D+02  0.528728D+00  0.357688D+00 -0.300769D+01
      2   0.340975D+01 -0.216860D+01 -0.200120D+01  0.833613D+01  0.170604D+00
      3   0.278992D+01 -0.168556D+01  0.910046D-02  0.770548D+01 -0.197166D+02
               201           202           203           204           205 
      1   0.310937D+00 -0.103572D+01  0.955039D+00 -0.401579D+01 -0.126008D+01
      2   0.176808D+01 -0.267533D+01 -0.391589D+00  0.714711D+01 -0.212253D+02
      3  -0.149971D+01 -0.128354D+02 -0.133521D+01  0.177350D+01 -0.166574D+01
               206           207           208           209           210 
      1   0.285535D+01  0.327840D+00  0.146244D+01 -0.349325D+01 -0.979186D+00
      2   0.121919D+02  0.189954D+01  0.169123D+01  0.518494D+00  0.847938D+01
      3   0.178677D+01 -0.657230D+01  0.210864D+02 -0.347481D+02 -0.218294D+01
               211           212           213           214           215 
      1  -0.153485D+00  0.235412D+00 -0.758614D+01  0.355658D+01  0.222937D+00
      2   0.130685D+01 -0.528713D+00  0.857707D+01 -0.487131D+01 -0.399845D+01
      3   0.322932D+01  0.591963D+01  0.493150D+00 -0.174586D+01  0.301549D+01
               216           217           218           219           220 
      1  -0.334033D+00 -0.189095D+01  0.546765D+00 -0.364927D+01  0.307952D+00
      2  -0.376872D+00  0.257907D+01 -0.234197D+01  0.128715D+02 -0.351205D+01
      3   0.134410D+01 -0.303277D+02 -0.130771D+02  0.554319D+01 -0.497151D+01
               221           222           223           224           225 
      1   0.951237D+00  0.102051D+02  0.870529D+01  0.112204D+02  0.183131D+01
      2   0.100635D+01 -0.344480D+02 -0.239688D+01 -0.233073D+02 -0.268784D+01
      3   0.144435D+02 -0.138979D+01  0.457204D+01 -0.981988D+00  0.308050D+02
               226           227           228           229           230 
      1   0.300790D+00  0.262846D+00 -0.139732D+01 -0.139082D+00 -0.232491D+00
      2   0.297005D-01  0.107587D+00  0.284489D+00 -0.127337D+00 -0.339280D+00
      3   0.741638D+01  0.666716D+01 -0.389278D+00  0.554926D+01  0.224830D+02
               231           232           233           234           235 
      1  -0.490326D+01  0.940947D+00  0.194196D+01 -0.121322D+00 -0.969234D+00
      2  -0.643566D+00  0.111007D+00  0.291134D-01 -0.103805D+00 -0.154095D+01
      3   0.333390D+00 -0.613455D+00 -0.248531D+00 -0.350944D+00 -0.343220D+00
               236           237           238           239           240 
      1   0.276713D+00  0.263253D+01  0.349973D+00 -0.172273D+00 -0.311940D+01
      2   0.992485D+00  0.378627D+01  0.102866D+01 -0.127841D+01 -0.400127D+01
      3  -0.669154D+01 -0.114822D+00 -0.666124D+01  0.121870D+02  0.890291D+00
               241           242           243           244           245 
      1  -0.263043D+01  0.975332D+00  0.139883D-01  0.227304D+00  0.308603D+00
      2  -0.302226D+01 -0.121233D+01 -0.193702D+00 -0.322839D+00 -0.540488D+00
      3   0.205159D+00  0.671733D+00  0.145697D+01 -0.202992D+01 -0.147759D+01
               246           247           248           249           250 
      1  -0.610072D+00  0.476977D+00  0.199735D+00 -0.314337D+01 -0.445909D+00
      2   0.352523D+00 -0.518137D+00 -0.304169D+00  0.192325D+01 -0.156705D+01
      3   0.172224D+00 -0.511358D-01 -0.164402D+02 -0.144005D+00  0.208121D+00
               251           252           253           254           255 
      1   0.165277D+01  0.430466D-01 -0.841913D+00  0.133838D+00  0.213205D+01
      2  -0.131941D+01  0.458730D-01  0.572509D+01  0.400027D+00 -0.465613D+01
      3  -0.423965D+00  0.515499D+00 -0.104617D+01  0.430628D+01  0.185311D+01
               256           257           258           259           260 
      1  -0.102738D+01 -0.281917D+01 -0.537533D+01 -0.311653D+01 -0.258697D+01
      2   0.477985D+01  0.101979D+02  0.136285D+02  0.519893D+01  0.144973D+02
      3  -0.446183D+01 -0.178674D+02 -0.117254D+02 -0.554248D+01 -0.149284D+02
               261           262           263           264           265 
      1  -0.969699D+01  0.111814D+01 -0.477504D+00 -0.155739D+01 -0.310376D+00
      2   0.267272D+02 -0.248757D+01 -0.537937D-01  0.887665D+01  0.406352D+00
      3  -0.180600D+02  0.117625D+02 -0.843083D+01 -0.109353D+01 -0.568265D+01
               266           267           268           269           270 
      1   0.215072D+00 -0.932568D+00 -0.199311D+01 -0.276520D+00  0.211173D+00
      2  -0.428890D+00  0.796624D+00  0.693921D+01  0.251481D+01 -0.152934D+01
      3   0.248201D+01  0.758611D+00 -0.116746D+01  0.102403D+01 -0.194882D+01
               271           272           273           274           275 
      1   0.538945D+00  0.116302D+00  0.304444D+01  0.330724D+00  0.118644D+01
      2  -0.589966D+01  0.234253D+01 -0.771604D+01 -0.283433D+01 -0.112140D+02
      3  -0.122367D+01  0.718459D+01 -0.531740D+01 -0.271217D+01 -0.198799D+02
               276           277           278           279 
      1  -0.448104D+01 -0.174289D+01 -0.146801D+01  0.737113D+01
      2   0.145357D+02  0.276317D+01  0.151791D+02 -0.249388D+02
      3   0.135570D+02  0.283345D+01  0.149990D+02 -0.195705D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.703437D+02  0.270488D+02  0.412627D+01 -0.882313D+02 -0.289504D+01
      2   0.345059D+02 -0.186096D+02 -0.275481D+01  0.352322D+02  0.152739D+02
      3   0.358378D+02 -0.843923D+01 -0.137146D+01  0.529991D+02 -0.123788D+02
      4  -0.346400D+01  0.213015D+02  0.984599D+00  0.122809D+02 -0.254444D+02
      5  -0.404232D+00 -0.161195D+01 -0.374430D+01 -0.415936D+01  0.185282D+01
      6   0.405740D+00 -0.155100D+01  0.160440D+01  0.218941D+01 -0.165491D+01
                 6             7             8             9            10 
      1   0.712184D+01  0.414089D+01 -0.188875D+01 -0.100873D+02  0.708619D+02
      2  -0.251424D+01 -0.253328D+01  0.218619D+01 -0.208846D+00 -0.189258D+02
      3  -0.460759D+01 -0.160761D+01 -0.297442D+00  0.102962D+02 -0.519361D+02
      4  -0.146140D+01  0.300112D+00 -0.194379D+01 -0.187372D+01  0.378742D+02
      5   0.440743D+01  0.112293D+01 -0.948117D+00  0.170790D+01  0.116805D+01
      6  -0.629126D+00  0.303562D+01  0.513583D+01 -0.935413D+00 -0.296575D+01
                11            12            13            14            15 
      1   0.236905D+02 -0.648931D+01  0.972930D+02 -0.237167D+02 -0.746125D+01
      2  -0.186874D+02  0.780549D+00 -0.374114D+02  0.157583D+02  0.341929D+01
      3  -0.500308D+01  0.570876D+01 -0.598816D+02  0.795844D+01  0.404196D+01
      4   0.160734D+02 -0.157462D+01 -0.287916D+02  0.193649D+02  0.200605D+01
      5  -0.152994D+01 -0.128068D+02  0.290164D+01 -0.473351D+00 -0.191853D+01
      6   0.826932D-01  0.437681D+00 -0.970301D+00  0.211480D+01 -0.270201D+01
                16            17            18            19            20 
      1  -0.425882D+01 -0.204187D+01 -0.601543D+01  0.457382D+02 -0.332498D+02
      2   0.177435D-01  0.142827D+01 -0.269419D+01 -0.172463D+02  0.204426D+02
      3   0.424108D+01  0.613605D+00  0.870962D+01 -0.284920D+02  0.128072D+02
      4  -0.324943D+01 -0.740537D+00  0.441499D+01 -0.799378D+01 -0.267959D+02
      5   0.161316D+01  0.265438D+01  0.289393D+01  0.375731D+01  0.173333D+01
      6   0.216823D+01  0.391514D+01 -0.296351D+00 -0.768413D+00  0.534446D+01
                21            22            23            24            25 
      1  -0.676012D+01  0.125796D+02  0.188374D+02  0.274968D+01 -0.434140D+01
      2   0.296948D+01 -0.233861D+02 -0.242346D+02  0.365554D+00  0.835348D+00
      3   0.379064D+01  0.108065D+02  0.539715D+01 -0.311523D+01  0.350605D+01
      4   0.437336D+00  0.100433D+02 -0.100996D+01 -0.353537D+00  0.234761D+01
      5  -0.212252D+01 -0.261647D+01  0.102447D+00  0.751378D+01  0.102866D+02
      6  -0.808753D+00  0.567023D+00 -0.214759D+01  0.670589D+01  0.272827D+01
                26            27            28            29            30 
      1   0.783668D+01 -0.117138D+02  0.101812D+02 -0.469971D+01  0.304548D+01
      2  -0.307782D+01 -0.208327D+00 -0.281432D+02  0.407580D+01 -0.578964D-02
      3  -0.475886D+01  0.119221D+02  0.179620D+02  0.623907D+00 -0.303969D+01
      4   0.214388D+01  0.650685D+01 -0.617455D+00  0.142594D+02  0.231736D+00
      5   0.840824D+01  0.224151D+01 -0.910194D+01  0.198671D+01  0.930930D+01
      6   0.132076D+02 -0.232370D+01  0.134050D+01 -0.231041D+01  0.219511D+01
                31            32            33            34            35 
      1   0.401182D+02 -0.499264D+02 -0.217584D+01  0.524050D+01 -0.229159D+01
      2  -0.290653D+02  0.439286D+02  0.206869D+01 -0.903177D-01  0.133217D+01
      3  -0.110529D+02  0.599779D+01  0.107146D+00 -0.515018D+01  0.959418D+00
      4  -0.312492D+02 -0.185068D+02  0.706528D+00 -0.242120D+01 -0.107145D+01
      5  -0.159832D+01  0.204871D+01 -0.250289D+01  0.296973D+02 -0.383794D+01
      6   0.115951D+01  0.528272D+01 -0.471060D+01  0.399748D+01  0.304277D+01
                36            37            38            39            40 
      1   0.248912D+00 -0.201762D+02  0.541891D+02  0.473008D+01 -0.392851D+02
      2  -0.110108D+02  0.101806D+02 -0.370425D+02 -0.101831D+01  0.392695D+02
      3   0.107619D+02  0.999552D+01 -0.171466D+02 -0.371177D+01  0.156035D-01
      4  -0.685971D+00  0.278206D+02  0.686734D+01 -0.285185D+01  0.176326D+02
      5  -0.149389D+01  0.945031D+00 -0.489545D+01  0.468851D+01  0.323713D+01
      6  -0.972608D+00 -0.394070D+01 -0.433883D+01 -0.961757D+01 -0.127478D+01
                41            42            43            44            45 
      1   0.284717D+02  0.141069D+01  0.320649D+01 -0.598421D+01 -0.116357D+02
      2  -0.267978D+02 -0.292880D+01  0.250180D+01  0.156974D+01 -0.171566D+01
      3  -0.167387D+01  0.151811D+01 -0.570829D+01  0.441447D+01  0.133513D+02
      4   0.258400D+02  0.683306D-01 -0.394774D+01  0.123807D+01 -0.608446D+01
      5  -0.135879D+01 -0.700935D+01  0.144928D+02 -0.643615D+01 -0.227498D+01
      6  -0.399011D+01  0.222069D+01 -0.170031D+02  0.871311D+01  0.453334D+01
                46            47            48            49            50 
      1   0.297427D+02 -0.457585D+02 -0.661967D+01  0.849734D+01  0.108042D+02
      2  -0.217963D+02  0.304122D+02  0.210543D+01 -0.744214D+01 -0.197236D+02
      3  -0.794647D+01  0.153463D+02  0.451424D+01 -0.105520D+01  0.891933D+01
      4  -0.331279D+02 -0.163915D+02  0.229043D+01  0.194474D+02 -0.755496D+01
      5   0.248558D+01  0.262942D+01  0.899337D+00  0.477820D+00 -0.727584D+00
      6   0.252009D+01  0.622869D+01  0.783690D+01 -0.119212D+01 -0.517949D+00
                51            52            53            54            55 
      1  -0.601922D+00 -0.448244D+01  0.310273D+01 -0.197670D+02 -0.206102D+02
      2  -0.956228D+00  0.238100D+01 -0.511611D+01  0.755745D+01  0.304137D+01
      3   0.155815D+01  0.210144D+01  0.201339D+01  0.122096D+02  0.175688D+02
      4  -0.987915D+00  0.352699D+01  0.317727D+01  0.125737D+01  0.169805D+02
      5  -0.763203D-01  0.405690D+01  0.577905D-01  0.241624D+01 -0.367781D+01
      6   0.835956D+01  0.409281D+01  0.194157D+02  0.155566D+01  0.148171D+01
                56            57            58            59            60 
      1  -0.372761D+02 -0.230679D+01  0.111656D+01  0.183606D+02  0.339786D+00
      2   0.324554D+02  0.153008D+01 -0.346373D+01 -0.240265D+02 -0.313835D+00
      3   0.482066D+01  0.776708D+00  0.234716D+01  0.566592D+01 -0.259509D-01
      4  -0.591930D+02 -0.214614D+01  0.150692D+02 -0.620336D+01  0.706397D-02
      5   0.202021D+01 -0.106972D+02  0.479145D+00 -0.341361D+00 -0.664133D+01
      6   0.301647D+01  0.123258D+02 -0.352949D+00 -0.626937D+00  0.992225D+01
                61            62            63            64            65 
      1  -0.309486D+00  0.325046D+01 -0.267615D+02 -0.140572D+01 -0.377534D+01
      2   0.892873D+00 -0.371431D+01  0.131782D+02  0.558769D+01  0.621923D+01
      3  -0.583387D+00  0.463850D+00  0.135833D+02 -0.418197D+01 -0.244389D+01
      4  -0.173466D+01  0.760430D+01 -0.105849D+02  0.842661D+01  0.118048D+02
      5  -0.214648D+01 -0.148638D+02  0.369151D+01 -0.692354D+00 -0.688226D+00
      6   0.408474D+01  0.233441D+02 -0.198321D+01 -0.125404D+01 -0.139657D+01
                66            67            68            69            70 
      1   0.154934D+00 -0.812629D+01 -0.300671D+02  0.114574D+01 -0.809364D+00
      2  -0.676596D-01  0.122918D+02  0.396779D+02 -0.763421D+00  0.503581D+00
      3  -0.872746D-01 -0.416554D+01 -0.961083D+01 -0.382322D+00  0.305783D+00
      4  -0.425504D+00  0.128316D+02  0.217997D+02 -0.444827D+00 -0.350909D+00
      5   0.151488D+01 -0.474333D+00  0.322343D+00  0.241942D+01  0.688243D-01
      6   0.154555D+01 -0.162814D+01 -0.471342D+01  0.618065D+01  0.165485D+01
                71            72            73            74            75 
      1  -0.223786D+00 -0.310058D+01  0.760578D+01  0.155934D+01 -0.158447D+00
      2   0.141062D+00  0.354186D+01  0.866195D+00 -0.776940D+01  0.290938D+00
      3   0.827246D-01 -0.441279D+00 -0.847197D+01  0.621007D+01 -0.132492D+00
      4  -0.460901D+00  0.993157D+00 -0.221025D+02  0.179824D+02  0.152335D+01
      5   0.213346D+00 -0.315275D+00 -0.516999D+01  0.197666D+01  0.461709D+01
      6   0.285268D+01 -0.287717D+00  0.278127D+01 -0.237572D+01 -0.266434D+01
                76            77            78            79            80 
      1   0.494460D+01 -0.123689D+02 -0.153319D+01 -0.915573D+00 -0.645457D+00
      2  -0.130912D+02  0.217412D+02  0.121396D+01  0.721906D-01  0.713388D+00
      3   0.814664D+01 -0.937231D+01  0.319229D+00  0.843382D+00 -0.679316D-01
      4   0.232276D+02 -0.252404D+02 -0.205291D+01  0.171307D+01 -0.134987D+01
      5   0.267677D+01 -0.243246D+01 -0.350320D+01  0.919819D+00 -0.161846D+01
      6  -0.371651D+01  0.462043D+01  0.485647D+01  0.501164D+00  0.239772D+01
                81            82            83            84            85 
      1   0.108458D+00 -0.380398D+01 -0.792572D+01  0.264809D+00 -0.613068D+01
      2   0.851515D+00  0.656809D+01  0.114549D+02 -0.201998D+00  0.781032D+01
      3  -0.959973D+00 -0.276410D+01 -0.352920D+01 -0.628116D-01 -0.167964D+01
      4  -0.256740D+01  0.478691D+01  0.121687D+02  0.233437D+00  0.768695D+01
      5  -0.573206D+00  0.828243D+00  0.125884D+01  0.180309D+01  0.775732D+00
      6   0.581880D+00  0.620445D+00  0.427668D+00  0.165377D+01  0.838449D+00
                86            87            88            89            90 
      1  -0.458641D+02 -0.861047D+00  0.620300D+00  0.110779D+00 -0.184397D+01
      2   0.607751D+02  0.455548D+00 -0.449653D+00 -0.620187D-01  0.238955D+01
      3  -0.149110D+02  0.405499D+00 -0.170647D+00 -0.487605D-01 -0.545582D+00
      4   0.144441D+02  0.355788D+00 -0.171183D+00 -0.659812D+00  0.211606D+01
      5   0.291037D+01  0.105346D+01  0.941603D+00  0.165159D+01  0.139526D-02
      6   0.454469D+01  0.709522D+01 -0.157824D+00  0.320419D+01 -0.388156D-01
                91            92            93            94            95 
      1  -0.772831D+01  0.786614D+01 -0.103712D+02  0.115866D+02  0.864256D+01
      2   0.166273D+02 -0.812821D+01 -0.820440D+00 -0.143536D+02 -0.174611D+02
      3  -0.889904D+01  0.262077D+00  0.111916D+02  0.276696D+01  0.881850D+01
      4   0.950890D+01 -0.283766D+01 -0.471032D+00 -0.624033D+01 -0.430198D+02
      5  -0.836941D+00 -0.195893D+01 -0.260447D+02 -0.119195D+02 -0.622773D+00
      6  -0.252468D+01  0.229052D+01  0.597321D+00  0.128892D+00  0.602758D+01
                96            97            98            99           100 
      1  -0.479420D+01 -0.327981D+01 -0.291004D+00 -0.265710D+02 -0.701481D+02
      2   0.809937D+01 -0.632260D+01  0.511660D+00  0.216084D+02  0.374414D+02
      3  -0.330516D+01  0.960241D+01 -0.220656D+00  0.496266D+01  0.327067D+02
      4  -0.889044D+00 -0.273756D+01 -0.167957D+01  0.907661D+01 -0.248746D+02
      5   0.958606D+01 -0.601027D+02  0.102971D+02  0.530486D+01  0.336127D+02
      6   0.151463D+01  0.144664D+01  0.807203D+00 -0.342251D+01  0.113737D+02
               101           102           103           104           105 
      1  -0.190980D+02  0.300987D+02 -0.304462D+02  0.114104D+02 -0.628143D+01
      2   0.777578D+01 -0.146801D+01  0.212993D+02 -0.767288D+01 -0.107328D+02
      3   0.113222D+02 -0.286307D+02  0.914689D+01 -0.373748D+01  0.170142D+02
      4   0.499754D+01  0.593182D-01  0.261211D+01  0.387851D+02  0.102349D+02
      5   0.474383D+01  0.197228D+02  0.160547D+02  0.675566D+01 -0.190351D+02
      6  -0.331984D+01  0.206634D+01 -0.160165D+01 -0.187288D+02 -0.655872D+01
               106           107           108           109           110 
      1   0.356191D+01 -0.784771D+01  0.357177D+02 -0.859023D+02  0.180755D+02
      2   0.162824D+02 -0.544369D+01 -0.152659D+02  0.353507D+02 -0.202032D+01
      3  -0.198443D+02  0.132914D+02 -0.204518D+02  0.505515D+02 -0.160552D+02
      4   0.207791D+01  0.739046D+01 -0.167044D+02  0.293004D+02 -0.192643D+02
      5   0.417294D+02 -0.151739D+02 -0.170910D+02 -0.102919D+02  0.564092D+01
      6  -0.160473D+01 -0.412472D+01  0.143511D+02  0.560098D+01 -0.200703D+01
               111           112           113           114           115 
      1  -0.278437D+01  0.274875D+02 -0.123869D+02  0.168806D+01  0.230565D+02
      2   0.102082D+01 -0.615610D+01  0.888215D+01 -0.123480D+01 -0.151726D+02
      3   0.176355D+01 -0.213314D+02  0.350475D+01 -0.453266D+00 -0.788397D+01
      4   0.283522D+01 -0.368520D+01  0.201564D+02  0.186752D+01 -0.119419D+00
      5  -0.117110D+00  0.101587D+02 -0.297109D-02 -0.775472D-02  0.241799D+02
      6   0.292919D+01 -0.179673D+01  0.308981D+01  0.108320D+01 -0.322235D+01
               116           117           118           119           120 
      1   0.122709D+01  0.230663D+02 -0.392420D+01  0.689241D+01  0.181187D+01
      2   0.580943D+00 -0.508875D+01  0.761741D+01 -0.165471D+01 -0.852491D+00
      3  -0.180804D+01 -0.179776D+02 -0.369321D+01 -0.523770D+01 -0.959377D+00
      4   0.489261D+01 -0.497428D+01  0.124450D+02  0.110421D+02 -0.845105D+00
      5  -0.520692D+01  0.866285D+01  0.103503D+01 -0.129618D+01  0.761114D+01
      6  -0.296324D+01 -0.229763D+01 -0.132868D+01 -0.104668D+01  0.237544D+00
               121           122           123           124           125 
      1   0.102169D+02 -0.128146D+02  0.244204D+01  0.285831D+01 -0.236624D+00
      2  -0.336507D-01  0.277022D+02 -0.127934D+01 -0.153301D+01  0.178186D+01
      3  -0.101833D+02 -0.148876D+02 -0.116271D+01 -0.132530D+01 -0.154523D+01
      4   0.189532D+02  0.506742D+02 -0.165393D+01 -0.483181D-02  0.162390D+00
      5  -0.567793D+00 -0.155709D+01  0.100311D+02  0.999950D+01  0.568014D+01
      6  -0.162787D+01 -0.651519D+01  0.468873D+01  0.154997D+01  0.568249D+01
               126           127           128           129           130 
      1   0.120455D+01  0.111467D+03  0.119818D+02 -0.196808D+02  0.209699D+02
      2  -0.225723D+00 -0.656821D+02 -0.568840D+01  0.169764D+02 -0.114092D+02
      3  -0.978827D+00 -0.457854D+02 -0.629335D+01  0.270440D+01 -0.956066D+01
      4   0.614387D+01  0.179571D+02  0.143739D+02 -0.310785D+01  0.190364D+02
      5  -0.163050D+01 -0.601151D+02 -0.528219D+01  0.272063D+02 -0.130912D+02
      6  -0.630690D+00 -0.749401D+01 -0.549533D+01  0.148521D+01 -0.671519D+01
               131           132           133           134           135 
      1   0.102275D+02 -0.235748D+01 -0.785948D+01  0.524830D+00  0.767913D+01
      2  -0.425222D+01  0.416835D+01  0.806798D+01  0.148544D+01 -0.743016D+01
      3  -0.597526D+01 -0.181087D+01 -0.208501D+00 -0.201028D+01 -0.248971D+00
      4   0.370575D+01 -0.519350D+01 -0.122107D+01 -0.204121D+01  0.431496D+01
      5  -0.714597D+01  0.846353D+01  0.170941D+02  0.399539D+01 -0.819262D+01
      6  -0.781818D+00  0.345206D+01  0.157517D+01  0.166331D+01 -0.221542D+01
               136           137           138           139           140 
      1  -0.568345D+01  0.757089D+01 -0.220142D+02  0.835200D+01 -0.105629D+02
      2  -0.107074D+01 -0.195996D+01 -0.119905D+01 -0.498561D+01  0.205326D+01
      3   0.675418D+01 -0.561092D+01  0.232132D+02 -0.336638D+01  0.850961D+01
      4   0.423414D+01 -0.386396D+01  0.268900D+01  0.107093D+01  0.454630D+01
      5  -0.184823D+01 -0.151678D+00 -0.106559D+02 -0.572718D+01 -0.813105D+01
      6  -0.367174D+01  0.457516D+01 -0.419067D+01  0.424123D+00 -0.621352D+01
               141           142           143           144           145 
      1   0.125950D+02 -0.991615D+01  0.875929D+01 -0.385149D+02  0.673672D+01
      2   0.358806D+01  0.289059D+01  0.222888D+01 -0.126625D+02 -0.157302D+01
      3  -0.161830D+02  0.702556D+01 -0.109882D+02  0.511774D+02 -0.516370D+01
      4  -0.110457D+02 -0.484492D+00 -0.900447D+01  0.122744D+02 -0.539003D+01
      5   0.164590D+02  0.434146D+01  0.921374D+01 -0.376113D+02 -0.382020D+01
      6   0.120829D+02 -0.234276D+00  0.937332D+01 -0.126286D+02  0.262787D+01
               146           147           148           149           150 
      1  -0.551676D+01 -0.517718D+01 -0.112761D+02 -0.102974D+02 -0.281830D+01
      2   0.303673D+01  0.371102D+00  0.708097D+01  0.137961D+02 -0.223389D+01
      3   0.248003D+01  0.480607D+01  0.419510D+01 -0.349876D+01  0.505219D+01
      4   0.324600D+01  0.957712D+00  0.106356D+02 -0.483433D+02 -0.129614D+02
      5   0.256909D+01 -0.144223D+01  0.119064D+02 -0.119729D+02 -0.149712D+02
      6  -0.486492D-01 -0.753427D-01 -0.392579D+01  0.267660D+02  0.110500D+02
               151           152           153           154           155 
      1  -0.412844D+00 -0.217038D+01 -0.732765D+01  0.186784D+03 -0.302174D+02
      2  -0.102187D+01 -0.547763D+00  0.150803D+01 -0.868723D+02  0.940122D+01
      3   0.143472D+01  0.271814D+01  0.581962D+01 -0.999122D+02  0.208162D+02
      4   0.207034D+01 -0.580039D+01 -0.583103D+01 -0.411738D+02  0.372064D+02
      5  -0.239467D+00 -0.583302D+01 -0.326362D+01  0.307764D+02 -0.561461D+01
      6  -0.142288D+01  0.779757D+01  0.389730D+01 -0.488976D+01  0.479110D+01
               156           157           158           159           160 
      1   0.485381D+01 -0.394767D+02  0.345724D+02 -0.270140D+00  0.672944D+01
      2  -0.720933D+01  0.127196D+02 -0.909644D+01  0.142007D+01 -0.782044D+01
      3   0.235551D+01  0.267571D+02 -0.254760D+02 -0.114993D+01  0.109100D+01
      4  -0.206768D+01  0.526083D+02 -0.371761D+02  0.246366D+01 -0.320866D+01
      5   0.333350D+02 -0.842812D+01  0.722672D+01 -0.109143D+02  0.355924D+02
      6  -0.164858D+01  0.900218D+01 -0.650768D+01  0.535133D+01 -0.420782D+01
               161           162           163           164           165 
      1  -0.917698D+00  0.211344D+02  0.428657D+02 -0.821020D+01  0.155428D+02
      2   0.128477D+01 -0.139784D+02 -0.309026D+02  0.334596D+01 -0.964909D+01
      3  -0.367074D+00 -0.715603D+01 -0.119631D+02  0.486423D+01 -0.589368D+01
      4   0.253691D+00 -0.847627D+01 -0.804064D+01  0.811421D+01  0.119118D+01
      5  -0.931894D+01  0.503413D+01  0.311079D+02 -0.921457D+00  0.176144D+02
      6   0.493399D+01 -0.203538D+01 -0.361286D+01  0.173417D+01  0.422394D+00
               166           167           168           169           170 
      1  -0.156505D+02 -0.648570D+01  0.157373D-01 -0.169472D+01  0.206162D+00
      2   0.834335D+01  0.132223D+01  0.635783D+00 -0.289930D+01 -0.680383D+00
      3   0.730718D+01  0.516347D+01 -0.651520D+00  0.459402D+01  0.474221D+00
      4   0.591215D+01  0.171437D+01  0.112435D+02  0.327004D+01  0.436798D+01
      5  -0.685969D+01  0.112736D+02 -0.224189D+01  0.157974D+02  0.313868D+01
      6   0.138143D+01  0.776707D+00  0.117080D+02  0.258611D+01  0.104882D+02
               171           172           173           174           175 
      1  -0.312106D+02 -0.449899D+02  0.721396D+01  0.518115D+01  0.137910D+02
      2  -0.141860D+02  0.281296D+02 -0.363029D+01  0.489814D+01 -0.890497D+01
      3   0.453967D+02  0.168603D+02 -0.358367D+01 -0.100793D+02 -0.488601D+01
      4   0.537374D+01  0.646708D+01 -0.474622D+01 -0.854505D+00 -0.103249D+01
      5   0.449394D+02 -0.237918D+02  0.150595D+01 -0.136549D+02  0.619049D+01
      6   0.367264D+01  0.329396D+01 -0.368412D+01 -0.139615D+01 -0.112923D+01
               176           177           178           179           180 
      1  -0.643132D+01 -0.172923D+01 -0.845778D+01  0.244490D+00 -0.915147D+01
      2   0.405050D+01 -0.894637D+00  0.110683D+02 -0.548308D+00  0.483045D+01
      3   0.238082D+01  0.262387D+01 -0.261049D+01  0.303818D+00  0.432103D+01
      4   0.237144D+01  0.303921D+01  0.203084D+01 -0.397905D-01  0.116112D+01
      5   0.169911D+01  0.454486D+01 -0.111682D+02  0.958192D+00 -0.318949D+01
      6   0.240184D+01  0.334410D+01 -0.786266D+00  0.111216D+01  0.887059D+00
               181           182           183           184           185 
      1   0.281478D+02  0.546281D+02  0.116693D+01 -0.407300D+02  0.199113D+02
      2  -0.148609D+02 -0.430966D+02 -0.396601D+00  0.334954D+02 -0.251674D+02
      3  -0.132869D+02 -0.115316D+02 -0.770326D+00  0.723457D+01  0.525610D+01
      4   0.717702D+01  0.398985D+02 -0.335639D+01 -0.762170D+00  0.412810D+02
      5   0.618670D+01 -0.625177D+01  0.168639D+02  0.370676D+00  0.102561D+01
      6  -0.433232D+01  0.198243D+01 -0.134202D+02  0.126832D+01 -0.173246D+01
               186           187           188           189           190 
      1   0.194637D+01  0.170820D+01 -0.668974D+01  0.439014D+01  0.139989D+03
      2  -0.233937D+01  0.933987D+00  0.364271D+01 -0.851422D+01 -0.713400D+02
      3   0.392996D+00 -0.264219D+01  0.304703D+01  0.412408D+01 -0.686493D+02
      4   0.176905D+01 -0.541675D+01 -0.435657D+00 -0.231544D+02  0.118177D+02
      5  -0.985708D+01  0.358531D+02 -0.187154D+02 -0.391698D+01  0.256067D+01
      6   0.308440D+01 -0.236347D+02  0.139403D+02  0.395534D+01 -0.172150D+01
               191           192           193           194           195 
      1  -0.196286D+01 -0.789784D+01 -0.320052D+02 -0.420516D+02  0.776541D+00
      2  -0.103902D+02  0.204032D+01  0.308291D+01  0.468890D+02  0.155868D+01
      3   0.123531D+02  0.585751D+01  0.289223D+02 -0.483742D+01 -0.233522D+01
      4   0.237823D+02 -0.585822D+00 -0.414953D+02 -0.664109D+02  0.121794D+01
      5   0.568800D+00  0.112295D+02 -0.212381D+01  0.944187D+00 -0.133095D+01
      6   0.947148D+00 -0.217518D+01  0.253203D+01  0.953166D+00 -0.907629D+01
               196           197           198           199           200 
      1  -0.410156D+01 -0.195264D+01  0.224508D+02 -0.109482D+03 -0.242866D+02
      2   0.210078D+01  0.222505D+01 -0.209465D+02  0.384434D+02  0.255683D+02
      3   0.200079D+01 -0.272416D+00 -0.150430D+01  0.710385D+02 -0.128167D+01
      4  -0.322264D+01 -0.304980D+01 -0.853241D+00 -0.361367D+02 -0.369016D+02
      5   0.493529D+02 -0.560964D+01 -0.403427D+01  0.973727D+00  0.338036D+01
      6  -0.117492D+01  0.444959D+01 -0.455787D+00  0.393407D+01  0.104864D+01
               201           202           203           204           205 
      1   0.665334D+01  0.791177D+02  0.136831D+02 -0.382285D+01  0.984176D+01
      2  -0.239050D+01 -0.480511D+02 -0.228095D+02  0.193195D+01 -0.449346D+01
      3  -0.426284D+01 -0.310666D+02  0.912642D+01  0.189090D+01 -0.534830D+01
      4   0.319320D+01  0.258822D+02  0.198895D+02 -0.162939D+01  0.522144D+01
      5   0.431481D+01 -0.876111D+00 -0.642253D+00  0.148149D+02  0.244517D+01
      6  -0.735341D+00 -0.182692D+01 -0.654592D+00  0.913767D+01  0.171166D+01
               206           207           208           209           210 
      1   0.511733D+01 -0.159687D+02  0.194249D+02 -0.635120D+01  0.113797D+01
      2  -0.405095D+01 -0.284556D+01 -0.138555D+02  0.584616D+01  0.148438D+01
      3  -0.106638D+01  0.188143D+02 -0.556938D+01  0.505043D+00 -0.262236D+01
      4   0.362598D+01  0.169176D+02 -0.181691D+02  0.909790D+01  0.877468D+00
      5   0.212008D+02  0.342100D+01 -0.358167D+01 -0.646691D-01  0.164232D+02
      6   0.102896D+02 -0.116368D+00  0.106687D+01 -0.140742D+01  0.309892D+01
               211           212           213           214           215 
      1  -0.204038D+02  0.361505D+01  0.389918D+01 -0.884368D-02 -0.608559D-01
      2   0.117344D+02 -0.212914D+01 -0.182369D+01  0.147115D+01 -0.561902D+00
      3   0.866937D+01 -0.148591D+01 -0.207549D+01 -0.146230D+01  0.622758D+00
      4   0.248668D+02 -0.183543D+02 -0.137071D+01  0.121494D+01 -0.598435D+00
      5   0.300558D+01 -0.389473D+00  0.156799D+02  0.118161D+02 -0.396225D+01
      6  -0.190475D+00  0.272232D+00  0.132212D+02 -0.118807D+01  0.411406D+01
               216           217           218           219           220 
      1   0.490723D+01 -0.103138D+03 -0.276091D+01  0.137804D+02  0.162831D+02
      2  -0.252403D+01  0.573606D+02  0.451174D+01 -0.749086D+01 -0.500004D+01
      3  -0.238320D+01  0.457776D+02 -0.175083D+01 -0.628957D+01 -0.112830D+02
      4  -0.521080D+01  0.159379D+00  0.220926D+02 -0.275103D+01  0.161374D+01
      5  -0.303838D+01  0.122699D+02 -0.335233D+01  0.190869D+02 -0.657940D+01
      6   0.509902D+00  0.765289D+00 -0.249132D+01  0.820775D+01 -0.216291D+01
               221           222           223           224           225 
      1   0.199498D+02 -0.107668D+02  0.112658D+02 -0.646225D+01  0.272994D+02
      2  -0.101311D+02  0.346524D+01 -0.635688D+01  0.219822D+01 -0.202820D+02
      3  -0.981871D+01  0.730159D+01 -0.490891D+01  0.426403D+01 -0.701745D+01
      4   0.201722D+01 -0.160127D+00 -0.417798D+01 -0.164855D+01 -0.390581D+02
      5  -0.794039D-01 -0.658563D+02 -0.365976D+01 -0.425304D+02 -0.779290D+01
      6   0.125515D+01 -0.268419D+02 -0.649628D+01 -0.194958D+02  0.750843D-01
               226           227           228           229           230 
      1  -0.685381D+01 -0.157071D+02  0.468667D+00 -0.556568D+01 -0.563075D+02
      2   0.827056D+01  0.171584D+02 -0.264637D+00  0.557229D+01  0.743349D+02
      3  -0.141674D+01 -0.145129D+01 -0.204031D+00 -0.661381D-02 -0.180275D+02
      4   0.560639D+00  0.471232D+01  0.235307D+00  0.325166D+01 -0.223082D+02
      5   0.404275D+00  0.667680D+00  0.106214D+01  0.920011D-01  0.208056D+01
      6  -0.300284D+00 -0.800940D+00  0.204513D+01  0.181927D+00 -0.972067D+00
               231           232           233           234           235 
      1  -0.602384D+00  0.705187D+00  0.191598D+00 -0.109492D+01  0.367889D+02
      2   0.693666D+00 -0.458764D+00  0.132596D+00  0.222138D+01 -0.716749D+01
      3  -0.912815D-01 -0.246423D+00 -0.324194D+00 -0.112646D+01 -0.296214D+02
      4   0.322963D-01 -0.392898D-01 -0.624384D+00  0.651536D+00 -0.522302D+02
      5  -0.225166D+01  0.230638D+01  0.133316D+00 -0.258219D+00 -0.344638D+01
      6   0.784193D+01 -0.909580D+00  0.356060D+01  0.400371D-01  0.265136D+01
               236           237           238           239           240 
      1  -0.187214D+02 -0.245742D+01 -0.170027D+02  0.931409D+01  0.792665D+00
      2  -0.192525D+01  0.671526D+00 -0.782245D+01  0.160385D+02  0.865137D+00
      3   0.206467D+02  0.178590D+01  0.248251D+02 -0.253526D+02 -0.165780D+01
      4   0.421529D+02  0.426511D+01  0.498677D+02 -0.544596D+02 -0.438892D+01
      5   0.212328D+01  0.692609D+01  0.219075D+01 -0.197707D+01 -0.637012D+01
      6  -0.201379D+01 -0.410753D+01 -0.229192D+01  0.276594D+01  0.546067D+01
               241           242           243           244           245 
      1  -0.348867D+01  0.138660D+01 -0.350341D-01  0.660208D+01  0.100327D+02
      2   0.661125D+00  0.404680D+00  0.121689D+01 -0.834466D+00 -0.306704D+01
      3   0.282755D+01 -0.179128D+01 -0.118185D+01 -0.576762D+01 -0.696566D+01
      4   0.528266D+01 -0.432240D+01 -0.384752D+01  0.154423D+02  0.134433D+02
      5  -0.148940D+00 -0.277519D+01 -0.115124D+01  0.286576D-01 -0.337619D+00
      6   0.678483D+00  0.259881D+01  0.729037D+00 -0.200800D-01 -0.398082D+00
               246           247           248           249           250 
      1  -0.212252D+00  0.103419D+02 -0.625190D+01 -0.475435D+00 -0.244412D+00
      2   0.888333D-01  0.134450D+01  0.192652D+02 -0.286428D-01  0.132812D+00
      3   0.123419D+00 -0.116864D+02 -0.130133D+02  0.504078D+00  0.111600D+00
      4  -0.824805D+00  0.248377D+02  0.411347D+02 -0.590887D+00 -0.565934D+00
      5   0.118009D+01  0.232579D+00  0.145374D+01  0.390223D+01  0.759207D+00
      6   0.391604D+00 -0.295022D-01  0.125178D+00  0.452060D+01  0.204865D+01
               251           252           253           254           255 
      1  -0.109404D+01 -0.132536D+01  0.593888D+01  0.479804D+01  0.930445D+01
      2   0.642702D+00  0.222543D+01 -0.291797D+01 -0.368280D+01 -0.437004D+01
      3   0.451339D+00 -0.900071D+00 -0.302091D+01 -0.111524D+01 -0.493441D+01
      4  -0.306417D-01  0.159860D+00  0.576256D+00 -0.262891D+01  0.225763D+01
      5  -0.784868D+00 -0.553447D-01  0.725870D+01  0.700435D+00 -0.718201D+01
      6   0.151888D+01  0.170192D-01  0.271401D+01 -0.356547D+00 -0.417479D+01
               256           257           258           259           260 
      1   0.519969D+01 -0.213260D+01 -0.100533D+01  0.243052D+02  0.419899D+01
      2   0.422123D+00  0.906284D+01  0.556773D+01 -0.111801D+02  0.234713D+01
      3  -0.562181D+01 -0.693024D+01 -0.456240D+01 -0.131251D+02 -0.654612D+01
      4   0.186098D+02  0.285589D+02  0.198455D+02  0.232804D+02  0.258463D+02
      5   0.114329D+02  0.208355D+02  0.268721D+02  0.214300D+02  0.281947D+02
      6   0.496165D+01  0.101555D+02  0.130121D+02  0.866336D+01  0.138083D+02
               261           262           263           264           265 
      1  -0.731522D+01  0.204960D+03  0.134582D+02 -0.130803D+02 -0.111154D+02
      2   0.187316D+01 -0.106037D+03 -0.398639D+01  0.767628D+01  0.918308D+01
      3   0.544206D+01 -0.989230D+02 -0.947185D+01  0.540405D+01  0.193234D+01
      4   0.260711D+02  0.370134D+02  0.185669D+02 -0.223606D+01  0.176971D+02
      5   0.522249D+02 -0.154469D+02 -0.873239D+00  0.178740D+02  0.952504D+00
      6   0.187538D+02 -0.225455D+01 -0.774597D+00  0.279526D+01 -0.679878D+00
               266           267           268           269           270 
      1   0.155563D+02  0.141027D+01 -0.133426D+02 -0.157522D+00  0.147696D+02
      2  -0.758262D+01 -0.104033D+01  0.805922D+01 -0.625158D-01 -0.837853D+01
      3  -0.797371D+01 -0.369943D+00  0.528341D+01  0.220038D+00 -0.639105D+01
      4  -0.308272D+00 -0.153057D+01 -0.231595D+01 -0.168083D+01  0.619177D+01
      5  -0.176796D+01  0.122744D+01  0.226720D+02  0.521882D+01 -0.415330D+01
      6  -0.175420D+00  0.199602D+01  0.327752D+01  0.298611D+01 -0.723995D+00
               271           272           273           274           275 
      1  -0.282981D+01  0.483257D+01 -0.135841D+02  0.338984D+01 -0.845345D+01
      2   0.826365D+00 -0.452546D+01  0.589152D+01  0.151377D-01  0.118480D+02
      3   0.200344D+01 -0.307112D+00  0.769258D+01 -0.340498D+01 -0.339456D+01
      4  -0.398713D+01 -0.707521D+01  0.188725D+01  0.151933D+02  0.292972D+02
      5  -0.612765D+01  0.337558D+01 -0.121963D+02 -0.811410D+01 -0.209090D+02
      6  -0.209848D+01  0.334771D+01 -0.686141D+01 -0.447630D+01 -0.131684D+02
               276           277           278           279 
      1   0.785601D+01 -0.206804D+02  0.343185D+01 -0.152819D+02
      2  -0.769860D+01  0.100956D+02 -0.433895D+01  0.341819D+01
      3  -0.157409D+00  0.105848D+02  0.907102D+00  0.118637D+02
      4  -0.210968D+02 -0.169467D+02 -0.235205D+02  0.262815D+02
      5   0.275128D+02  0.165085D+02  0.278392D+02 -0.454573D+02
      6   0.152467D+02  0.748235D+01  0.157167D+02 -0.201441D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x         -0.205154D+01     -0.521450D+01     -0.173937D+02
   y          0.144099D+00      0.366262D+00      0.122172D+01
   z         -0.612924D+00     -0.155790D+01     -0.519659D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.276001D+03      0.408992D+02      0.455064D+02
   yx        -0.698195D+01     -0.103462D+01     -0.115117D+01
   yy         0.160135D+03      0.237295D+02      0.264027D+02
   zx        -0.123091D+02     -0.182402D+01     -0.202950D+01
   zy         0.186296D+01      0.276062D+00      0.307160D+00
   zz         0.111988D+03      0.165950D+02      0.184644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197906D+03      0.293266D+02      0.326302D+02
   aniso      0.158288D+03      0.234558D+02      0.260981D+02
   xx         0.297612D+03      0.441015D+02      0.490696D+02
   yx        -0.875968D+01     -0.129805D+01     -0.144428D+01
   yy         0.173486D+03      0.257080D+02      0.286040D+02
   zx        -0.129542D+02     -0.191962D+01     -0.213586D+01
   zy         0.205088D+01      0.303910D+00      0.338145D+00
   zz         0.122618D+03      0.181702D+02      0.202170D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.03032674         -1.53614494          1.45802895
     6         -0.40686792          1.05294070          2.08052490
     6          0.95071921         -2.16942227         -0.94391014
     6          1.56147538         -0.34883026         -2.69474968
     6          1.17261553          2.22295217         -2.05924791
     6          0.22112581          2.89897364          0.24835520
     6         -0.65580265         -3.38986757          3.28590797
     1          1.23874679         -4.14909030         -1.39057990
     1          1.62299653          3.67164593         -3.43253394
     1         -0.06928446          4.87477777          0.69757010
     6          2.60160473         -1.04665650         -5.26557781
     6          5.24877169          0.00121637         -5.75082758
     6          0.78413516         -0.31236429         -7.40329264
     1          2.69186496         -3.11401840         -5.35506871
     1          5.92502113         -0.58313216         -7.60297792
     1          6.54856874         -0.68060275         -4.30563665
     1          5.24985530          2.06014458         -5.70638795
     8          1.43746567          0.48096423         -9.41985170
     8         -1.69427245         -0.70880413         -6.91155730
     1         -1.90436302         -1.18749399         -5.15579427
     6         -1.60012769         -2.72130192          5.59007984
     6         -1.97609214         -0.14231789          6.20340013
     6         -1.38977477          1.71170793          4.47952416
     8         -2.92573118          0.27526873          8.54876791
     6         -3.36036901          2.80971306          9.30335281
     1         -0.37339857         -5.36526026          2.83054391
     1         -2.08274661         -4.12406193          6.99611429
     1         -1.66152977          3.68837255          4.90971004
     1         -1.60454181          3.90001390          9.30839808
     1         -4.11262685          2.71296143         11.21217472
     1         -4.73479231          3.73273743          8.06617871

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.214599D+01      0.545456D+01      0.181945D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.214599D+01      0.545456D+01      0.181945D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182708D+03      0.270745D+02      0.301245D+02
   aniso      0.148097D+03      0.219458D+02      0.244180D+02
   xx         0.132243D+03      0.195964D+02      0.218040D+02
   yx        -0.131450D+01     -0.194788D+00     -0.216731D+00
   yy         0.159679D+03      0.236619D+02      0.263274D+02
   zx        -0.553526D+02     -0.820242D+01     -0.912642D+01
   zy        -0.246433D+01     -0.365176D+00     -0.406313D+00
   zz         0.256202D+03      0.379653D+02      0.422421D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.197906D+03      0.293266D+02      0.326302D+02
   aniso      0.158288D+03      0.234558D+02      0.260981D+02
   xx         0.144085D+03      0.213512D+02      0.237565D+02
   yx        -0.931693D+00     -0.138063D+00     -0.153615D+00
   yy         0.172882D+03      0.256185D+02      0.285044D+02
   zx        -0.588793D+02     -0.872501D+01     -0.970788D+01
   zy        -0.380782D+01     -0.564260D+00     -0.627824D+00
   zz         0.276749D+03      0.410100D+02      0.456297D+02

 ----------------------------------------------------------------------
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 My opinions may have changed, but not the fact that I am right.
                       -- Ashleigh Brilliant
 Job cpu time:       1 days 18 hours 51 minutes  1.9 seconds.
 Elapsed time:       0 days  5 hours 21 minutes 33.9 seconds.
 File lengths (MBytes):  RWF=    749 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 02:37:19 2021.
